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

Systemtic Name: [3-[[4-[(4-nitrophenyl)carbonylamino]butanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[[4-[(4-nitrobenzoyl)amino]butanoylhydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[[4-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[4-[(4-nitrobenzoyl)amino]butanoylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[4-[(4-nitrobenzoyl)amino]butanoylhydrazono]methyl]phenyl] ester Formula: C25H21N5O8 MolecularWeight: 519.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=NNC(=O)CCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=NNC(=O)CCCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O8/c31-23(8-3-13-26-24(32)18-9-11-20(12-10-18)29(34)35)28-27-16-17-4-1-7-22(14-17)38-25(33)19-5-2-6-21(15-19)30(36)37/h1-2,4-7,9-12,14-16H,3,8,13H2,(H,26,32)(H,28,31)