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Structure

N-[Alpha-[2-(piperidinoacetamido)phenyl]benzylidene]glycinato]nickel

CAS
847654-17-5
Catalog Number
ACM847654175
Category
Other Products
Molecular Weight
436.137g/mol
Molecular Formula
C22H23N3NiO3;

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Specification

Synonyms
847654-17-5;[N-[alpha-[2-(Piperidinoacetamido)phenyl]benzylidene]glycinato]nickel;DTXSID50649403;P1737;[(Piperidinoacetylimino)(1,2-phenylene)(1-phenyl-4-oxo-2-aza-1-butene-1,4-diyl)oxy] nickel(II);Nickel(2+) {(E)-[(2-{(Z)-[1-oxidanidyl-2-(piperidin-1-yl)ethylidene]amino}phenyl)(phenyl)methylidene]amino}acetate;
IUPAC Name
nickel(2+);2-[[[2-[(1-oxido-2-piperidin-1-ylethylidene)amino]phenyl]-phenylmethylidene]amino]acetate;
Canonical SMILES
C1CCN(CC1)CC(=NC2=CC=CC=C2C(=NCC(=O)[O-])C3=CC=CC=C3)[O-].[Ni+2];
InChI
InChI=1S/C22H25N3O3.Ni/c26-20(16-25-13-7-2-8-14-25)24-19-12-6-5-11-18(19)22(23-15-21(27)28)17-9-3-1-4-10-17;/h1,3-6,9-12H,2,7-8,13-16H2,(H,24,26)(H,27,28);/q;+2/p-2;
InChI Key
WUBYDZLSGCSGEK-UHFFFAOYSA-L;
Complexity
558
Covalently-Bonded Unit Count
2
Exact Mass
435.109g/mol
H-Bond Acceptor
6
Heavy Atom Count
29
Monoisotopic Mass
435.109g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
91.2A^2
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