methyl 4-bromanyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-4-bromo-5-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-bromo-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4-bromo-5-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-4-bromo-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)Br)C=CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)Br)/C=C/C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O3/c1-27-21(26)20-16(12-13-17(25)23-15-10-6-3-7-11-15)18(22)19(24-20)14-8-4-2-5-9-14/h2-13,24H,1H3,(H,23,25)/b13-12+