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

Systemtic Name: methyl 4-[3-[(Z)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Openeye Name: methyl 4-[3-[(Z)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[(Z)-3-anilino-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)/C=C(/C#N)\C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3/c1-16-12-19(25(30)31-4)10-11-23(16)28-17(2)13-20(18(28)3)14-21(15-26)24(29)27-22-8-6-5-7-9-22/h5-14H,1-4H3,(H,27,29)/b21-14-