3-[[3-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acryloyl]amino]benzoic acid Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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