[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C24H24BrNO3/c1-14-10-15(2)23(16(3)11-14)24(28)29-13-22(27)21-12-17(4)26(18(21)5)20-8-6-19(25)7-9-20/h6-12H,13H2,1-5H3