ethyl 4-[[1-(2-bromanyl-4-methyl-phenyl)-2-oxidanylidene-5-phenyl-pyrrol-3-ylidene]methyl]benzoate

Systemtic Name: ethyl 4-[[1-(2-bromanyl-4-methyl-phenyl)-2-oxidanylidene-5-phenyl-pyrrol-3-ylidene]methyl]benzoate Openeye Name: ethyl 4-[[1-(2-bromo-4-methyl-phenyl)-2-oxo-5-phenyl-pyrrol-3-ylidene]methyl]benzoate CAS Name: 4-[[1-(2-bromo-4-methylphenyl)-2-oxo-5-phenyl-3-pyrrolylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-bromo-4-methylphenyl)-2-oxo-5-phenylpyrrol-3-ylidene]methyl]benzoate Traditional Name: 4-[[1-(2-bromo-4-methyl-phenyl)-2-keto-5-phenyl-2-pyrrolin-3-ylidene]methyl]benzoic acid ethyl ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C2C=C(N(C2=O)C3=C(C=C(C=C3)C)Br)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C=C2C=C(N(C2=O)C3=C(C=C(C=C3)C)Br)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrNO3/c1-3-32-27(31)21-12-10-19(11-13-21)16-22-17-25(20-7-5-4-6-8-20)29(26(22)30)24-14-9-18(2)15-23(24)28/h4-17H,3H2,1-2H3