3,4-bis[[(Z)-[6-oxidanylidene-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzoic acid; nickel(2+)

Systemtic Name: 3,4-bis[[(Z)-[6-oxidanylidene-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzoic acid; nickel(2+) Openeye Name: nickelous 3,4-bis[[(Z)-[6-oxo-4-[2-(1-piperidyl)ethoxy]cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzoic acid CAS Name: 3,4-bis[[(Z)-[6-oxo-4-[2-(1-piperidinyl)ethoxy]-1-cyclohexa-2,4-dienylidene]methyl]amino]benzoic acid; nickel(2+) IUPAC Name: 3,4-bis[[(Z)-[6-oxo-4-(2-piperidin-1-ylethoxy)cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzoic acid; nickel(2+) Traditional Name: nickelous 3,4-bis[[(Z)-[6-keto-4-(2-piperidinoethoxy)cyclohexa-2,4-dien-1-ylidene]methyl]amino]benzoic acid Formula: C35H42N4NiO6+2 MolecularWeight: 673.42458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC(=O)C(=CNC3=C(C=C(C=C3)C(=O)O)NC=C4C=CC(=CC4=O)OCCN5CCCCC5)C=C2.[Ni+2]

Isomeric SMILES

C1CCN(CC1)CCOC2=CC(=O)/C(=C\NC3=C(C=C(C=C3)C(=O)O)N/C=C\4/C=CC(=CC4=O)OCCN5CCCCC5)/C=C2.[Ni+2]

InChI

InChI=1S/C35H42N4O6.Ni/c40-33-22-29(44-19-17-38-13-3-1-4-14-38)10-7-27(33)24-36-31-12-9-26(35(42)43)21-32(31)37-25-28-8-11-30(23-34(28)41)45-20-18-39-15-5-2-6-16-39;/h7-12,21-25,36-37H,1-6,13-20H2,(H,42,43);/q;+2/b27-24-,28-25-;