methyl 3-[3-[(Z)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: methyl 3-[3-[(Z)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[3-[(Z)-2-cyano-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(Z)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[(Z)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(Z)-2-cyano-3-(2-fluoroanilino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid methyl ester Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)/C=C(/C#N)\C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C25H22FN3O3/c1-15-12-18(13-19(14-27)24(30)28-22-10-6-5-9-21(22)26)17(3)29(15)23-11-7-8-20(16(23)2)25(31)32-4/h5-13H,1-4H3,(H,28,30)/b19-13-