1-[2-[2-(3,4-dimethoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[2-(3,4-dimethoxyphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[2-(3,4-dimethoxybenzoyl)hydrazino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(N'-veratroylhydrazino)ethyl]cycloheptanecarboxylic acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)CC2(CCCCCC2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)CC2(CCCCCC2)C(=O)O)OC

InChI

InChI=1S/C19H26N2O6/c1-26-14-8-7-13(11-15(14)27-2)17(23)21-20-16(22)12-19(18(24)25)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)