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

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)CCC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C19H20BrNO4/c1-12-9-17(18(23)11-25-19(24)8-7-13(2)22)14(3)21(12)16-6-4-5-15(20)10-16/h4-6,9-10H,7-8,11H2,1-3H3