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

Systemtic Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(3-bromophenyl)methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4Z)-4-(3-bromobenzylidene)-5-keto-2-methyl-1-phenethyl-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(=CC=C2)Br)C(=O)N1CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC(=CC=C2)Br)/C(=O)N1CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20BrNO3/c1-15-20(22(26)27-2)19(14-17-9-6-10-18(23)13-17)21(25)24(15)12-11-16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3/b19-14-