ethyl 4-[3-[(Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C25H22FN3O3 MolecularWeight: 431.458883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H22FN3O3/c1-4-32-25(31)18-5-11-23(12-6-18)29-16(2)13-19(17(29)3)14-20(15-27)24(30)28-22-9-7-21(26)8-10-22/h5-14H,4H2,1-3H3,(H,28,30)/b20-14-