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

Systemtic Name: methyl (5E)-5-[(3-bromophenyl)methylidene]-2-methyl-4-oxidanylidene-1H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-5-[(3-bromophenyl)methylene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate CAS Name: (5E)-5-[(3-bromophenyl)methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-5-[(3-bromophenyl)methylidene]-2-methyl-4-oxo-1H-pyrrole-3-carboxylate Traditional Name: (5E)-5-(3-bromobenzylidene)-4-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC2=CC(=CC=C2)Br)N1)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=C\C2=CC(=CC=C2)Br)/N1)C(=O)OC

InChI

InChI=1S/C14H12BrNO3/c1-8-12(14(18)19-2)13(17)11(16-8)7-9-4-3-5-10(15)6-9/h3-7,16H,1-2H3/b11-7+