[2-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H13N5O9 MolecularWeight: 479.35602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N5O9/c27-20(13-5-7-16(8-6-13)24(29)30)23-22-12-14-3-1-2-4-19(14)35-21(28)15-9-17(25(31)32)11-18(10-15)26(33)34/h1-12H,(H,23,27)/b22-12+