[3-[[4-[(3,4-dimethoxyphenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[[4-[(3,4-dimethoxyphenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[[4-[(3,4-dimethoxybenzoyl)amino]butanoylhydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[[4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-oxobutyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[4-[(3,4-dimethoxybenzoyl)amino]butanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[4-(veratroylamino)butanoylhydrazono]methyl]phenyl] ester Formula: C27H26N4O8 MolecularWeight: 534.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C27H26N4O8/c1-37-23-12-11-19(16-24(23)38-2)26(33)28-13-5-10-25(32)30-29-17-18-6-3-9-22(14-18)39-27(34)20-7-4-8-21(15-20)31(35)36/h3-4,6-9,11-12,14-17H,5,10,13H2,1-2H3,(H,28,33)(H,30,32)