3-[2-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C22H15ClN3O3- MolecularWeight: 404.8258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C22H16ClN3O3/c1-14-7-8-17(23)12-20(14)25-21(27)16(13-24)11-19-6-3-9-26(19)18-5-2-4-15(10-18)22(28)29/h2-12H,1H3,(H,25,27)(H,28,29)/p-1/b16-11+