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

Systemtic Name: methyl (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-allyl-4-[(2-bromophenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate Traditional Name: (4Z)-1-allyl-4-(2-bromobenzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C2Br)C(=O)N1CC=C)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=CC=C2Br)/C(=O)N1CC=C)C(=O)OC

InChI

InChI=1S/C17H16BrNO3/c1-4-9-19-11(2)15(17(21)22-3)13(16(19)20)10-12-7-5-6-8-14(12)18/h4-8,10H,1,9H2,2-3H3/b13-10-