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

Systemtic Name: methyl (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-(1-phenylethyl)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(4-bromophenyl)methylene]-2-methyl-5-oxo-1-(1-phenylethyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)pyrrole-3-carboxylate Traditional Name: (4Z)-4-(4-bromobenzylidene)-5-keto-2-methyl-1-(1-phenylethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H20BrNO3 MolecularWeight: 426.3031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)Br)C(=O)N1C(C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)Br)/C(=O)N1C(C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20BrNO3/c1-14(17-7-5-4-6-8-17)24-15(2)20(22(26)27-3)19(21(24)25)13-16-9-11-18(23)12-10-16/h4-14H,1-3H3/b19-13-