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

Systemtic Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(3-bromophenyl)methylene]-1-cyclohexyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(3-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-1-cyclohexyl-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-(3-bromobenzylidene)-1-cyclohexyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC(=CC=C2)Br)/C(=O)N1C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H22BrNO3/c1-13-18(20(24)25-2)17(12-14-7-6-8-15(21)11-14)19(23)22(13)16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3/b17-12-