methyl 3-(4-bromophenyl)carbonyl-1-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrrole-2-carboxylate

Systemtic Name: methyl 3-(4-bromophenyl)carbonyl-1-(4-methylphenyl)-4,5-bis(oxidanylidene)pyrrole-2-carboxylate Openeye Name: methyl 3-(4-bromobenzoyl)-4,5-dioxo-1-(p-tolyl)pyrrole-2-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(4-methylphenyl)-4,5-dioxo-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromobenzoyl)-1-(4-methylphenyl)-4,5-dioxopyrrole-2-carboxylate Traditional Name: 3-(4-bromobenzoyl)-4,5-diketo-1-(p-tolyl)-2-pyrroline-2-carboxylic acid methyl ester Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H14BrNO5/c1-11-3-9-14(10-4-11)22-16(20(26)27-2)15(18(24)19(22)25)17(23)12-5-7-13(21)8-6-12/h3-10H,1-2H3