3-[2-(4-bromophenyl)carbonyl-4-oxidanyl-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)carbonyl-4-oxidanyl-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(4-bromobenzoyl)-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(4-bromophenyl)-oxomethyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[2-(4-bromobenzoyl)-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(4-bromobenzoyl)-4-hydroxy-5-keto-3-phenyl-3-pyrrolin-1-yl]benzoic acid Formula: C24H16BrNO5 MolecularWeight: 478.29154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C2C(=O)C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C2C(=O)C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C24H16BrNO5/c25-17-11-9-15(10-12-17)21(27)20-19(14-5-2-1-3-6-14)22(28)23(29)26(20)18-8-4-7-16(13-18)24(30)31/h1-13,20,28H,(H,30,31)