[4-[(E)-[(4-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(4-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(4-methylbenzoyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[[(4-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(p-toluoylhydrazono)methyl]phenyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5/c1-15-5-9-17(10-6-15)21(26)24-23-14-16-7-11-20(12-8-16)30-22(27)18-3-2-4-19(13-18)25(28)29/h2-14H,1H3,(H,24,26)/b23-14+