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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-nitroanilino)prop-1-enyl]phenyl] ester Formula: C23H14ClN3O5 MolecularWeight: 447.82736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14ClN3O5/c24-19-6-2-1-5-18(19)23(29)32-17-11-9-15(10-12-17)13-16(14-25)22(28)26-20-7-3-4-8-21(20)27(30)31/h1-13H,(H,26,28)/b16-13+