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

Systemtic Name: 3-[3-[3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-[3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-4-methylbenzoic acid IUPAC Name: 3-[3-[3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-[3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4-methyl-benzoic acid Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H20BrN3O3/c1-14-4-5-17(24(30)31)12-22(14)28-15(2)10-18(16(28)3)11-19(13-26)23(29)27-21-8-6-20(25)7-9-21/h4-12H,1-3H3,(H,27,29)(H,30,31)