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

Systemtic Name: methyl (4Z)-4-[(4-bromophenyl)methylidene]-1-ethyl-2-methyl-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(4-bromophenyl)methylene]-1-ethyl-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-4-[(4-bromophenyl)methylidene]-1-ethyl-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(4-bromophenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-4-(4-bromobenzylidene)-1-ethyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=CC2=CC=C(C=C2)Br)C1=O)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(/C(=C/C2=CC=C(C=C2)Br)/C1=O)C(=O)OC)C

InChI

InChI=1S/C16H16BrNO3/c1-4-18-10(2)14(16(20)21-3)13(15(18)19)9-11-5-7-12(17)8-6-11/h5-9H,4H2,1-3H3/b13-9-