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

Systemtic Name: 4-[3-[(Z)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(Z)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C23H17BrN3O3- MolecularWeight: 463.30338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H18BrN3O3/c1-14-11-17(15(2)27(14)21-9-3-16(4-10-21)23(29)30)12-18(13-25)22(28)26-20-7-5-19(24)6-8-20/h3-12H,1-2H3,(H,26,28)(H,29,30)/p-1/b18-12-