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

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] but-2-enoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] but-2-enoate CAS Name: 2-butenoic 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] but-2-enoate Traditional Name: but-2-enoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO3/c1-4-5-18(22)23-11-17(21)16-10-12(2)20(13(16)3)15-8-6-14(19)7-9-15/h4-10H,11H2,1-3H3