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

Systemtic Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C22H18BrNO4/c1-14-10-20(15(2)24(14)19-5-3-4-18(23)11-19)21(26)13-28-22(27)17-8-6-16(12-25)7-9-17/h3-12H,13H2,1-2H3