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

Systemtic Name: [2-[(E)-[(4-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(E)-[(4-methylbenzoyl)hydrazono]methyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(E)-[[(4-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(E)-(p-toluoylhydrazono)methyl]phenyl] ester Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-14-6-8-15(9-7-14)21(27)24-23-13-16-4-2-3-5-20(16)33-22(28)17-10-18(25(29)30)12-19(11-17)26(31)32/h2-13H,1H3,(H,24,27)/b23-13+