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

Systemtic Name: ethyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-bromophenyl)methylene]-2-methyl-5-oxo-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate Traditional Name: 4-(3-bromobenzylidene)-5-keto-2-methyl-1-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC(=CC=C2)Br)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC(=CC=C2)Br)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18BrNO3/c1-3-26-21(25)19-14(2)23(17-10-5-4-6-11-17)20(24)18(19)13-15-8-7-9-16(22)12-15/h4-13H,3H2,1-2H3