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

Systemtic Name: [4-[(E)-[(2-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-[(2-nitrobenzoyl)hydrazono]methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-[[(2-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-[(2-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(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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