methyl (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-benzyl-4-[(2-bromophenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-1-benzyl-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-benzyl-4-(2-bromobenzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2Br)C(=O)N1CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=CC=C2Br)/C(=O)N1CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18BrNO3/c1-14-19(21(25)26-2)17(12-16-10-6-7-11-18(16)22)20(24)23(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12-