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

Systemtic Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(3-bromophenyl)methylene]-2-methyl-5-oxo-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: (4Z)-4-(3-bromobenzylidene)-5-keto-2-methyl-1-(3-pyridylmethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3/c1-13-18(20(25)26-2)17(10-14-5-3-7-16(21)9-14)19(24)23(13)12-15-6-4-8-22-11-15/h3-11H,12H2,1-2H3/b17-10-