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

Systemtic Name: [3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [3-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenyl] ester Formula: C20H13N5O8 MolecularWeight: 451.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])/C=N/NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O8/c26-20(14-9-17(24(29)30)11-18(10-14)25(31)32)33-19-3-1-2-13(8-19)12-21-22-15-4-6-16(7-5-15)23(27)28/h1-12,22H/b21-12+