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

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] hexa-2,4-dienoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] hexa-2,4-dienoate CAS Name: hexa-2,4-dienoic 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] hexa-2,4-dienoate Traditional Name: hexa-2,4-dienoic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-4-5-6-7-20(24)25-13-19(23)18-12-14(2)22(15(18)3)17-10-8-16(21)9-11-17/h4-12H,13H2,1-3H3