[4-[(E)-[(2-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[(2-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[(2-methylbenzoyl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[[(2-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(o-toluoylhydrazono)methyl]phenyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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