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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=C(N(C2=O)C3=CC(=CC=C3)Br)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=C(N(C2=O)C3=CC(=CC=C3)Br)C)C(=O)OC

InChI

InChI=1S/C21H18BrNO3/c1-13-6-4-7-15(10-13)11-18-19(21(25)26-3)14(2)23(20(18)24)17-9-5-8-16(22)12-17/h4-12H,1-3H3/b18-11-