[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrNO4/c1-9-15(11(3)20)10(2)19-16(9)17(22)23-8-14(21)12-5-4-6-13(18)7-12/h4-7,19H,8H2,1-3H3