CAS
94249-16-8 Purity
96%
94249-16-8 Purity
96%
![Trisodium 4-amino-3-[[4-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate](https://resource.alfa-chemistry.com/structure/94249-18-0.gif)
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6-Nitro-(1S,4R)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid tert-butyl ester
CAS
942492-09-3
Catalog Number
ACM942492093
Category
Other Products
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What is the molecular formula of the compound?
The molecular formula of the compound is C15H18N2O4.
What are the synonyms of the compound?
The synonyms of the compound are 942492-09-3, 6-Nitro-(1S,4R)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid tert-butyl ester, 2-Methyl-2-propanyl(1R,8S)-4-nitro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate, (1S,4R)-tert-butyl 6-nitro-1,2,3,4-tetrahydro-1,4-epiminonaphthalene-9-carboxylate, tert-butyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylate.
What is the molecular weight of the compound?
The molecular weight of the compound is 290.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl (1R,8S)-4-nitro-11-azatricyclo[6.2.1.0 2,7]undeca-2(7),3,5-triene-11-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H18N2O4/c1-15(2,3)21-14(18)16-12-6-7-13(16)11-8-9(17(19)20)4-5-10(11)12/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13+/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is QISHSLGQRNLFBK-QWHCGFSZSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)OC(=O)N1C2CCC1C3=C2C=CC(=C3)[N+](=O)[O-].
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 4.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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