[4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]phenyl] ester Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O5/c1-16-5-9-18(10-6-16)24(29)32-22-11-7-17(8-12-22)13-19(15-25)23(28)26-20-3-2-4-21(14-20)27(30)31/h2-14H,1H3,(H,26,28)