[2-nitro-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [2-nitro-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(benzoylhydrazono)methyl]-2-nitro-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] ester IUPAC Name: [4-[(E)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(benzoylhydrazono)methyl]-2-nitro-phenyl] ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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