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

Systemtic Name: [4-[(E)-[(4-aminophenyl)carbonylhydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-[[(4-aminophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-[(4-aminobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H15N5O7 MolecularWeight: 449.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)N)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O7/c22-16-5-3-14(4-6-16)20(27)24-23-12-13-1-7-19(8-2-13)33-21(28)15-9-17(25(29)30)11-18(10-15)26(31)32/h1-12H,22H2,(H,24,27)/b23-12+