[3-[[(3,5-dinitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [3-[[(3,5-dinitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [3-[[(3,5-dinitrobenzoyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-[[[(3,5-dinitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-[[(3,5-dinitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H13N5O9 MolecularWeight: 479.35602

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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)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H13N5O9/c27-20(15-9-17(25(31)32)11-18(10-15)26(33)34)23-22-12-13-3-1-6-19(7-13)35-21(28)14-4-2-5-16(8-14)24(29)30/h1-12H,(H,23,27)