[4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-[(4-nitrobenzoyl)hydrazono]methyl]phenyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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