methyl 1-(4-bromophenyl)-3-ethanoyl-2,4-bis(oxidanyl)-5-oxidanylidene-pyrrole-2-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)-3-ethanoyl-2,4-bis(oxidanyl)-5-oxidanylidene-pyrrole-2-carboxylate Openeye Name: methyl 3-acetyl-1-(4-bromophenyl)-2,4-dihydroxy-5-oxo-pyrrole-2-carboxylate CAS Name: 3-acetyl-1-(4-bromophenyl)-2,4-dihydroxy-5-oxo-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-1-(4-bromophenyl)-2,4-dihydroxy-5-oxopyrrole-2-carboxylate Traditional Name: 3-acetyl-1-(4-bromophenyl)-2,4-dihydroxy-5-keto-3-pyrroline-2-carboxylic acid methyl ester Formula: C14H12BrNO6 MolecularWeight: 370.15218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1(C(=O)OC)O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1(C(=O)OC)O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H12BrNO6/c1-7(17)10-11(18)12(19)16(14(10,21)13(20)22-2)9-5-3-8(15)4-6-9/h3-6,18,21H,1-2H3