[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-bromanylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H16BrNO3/c1-10-7-14(11(2)18(10)3)15(19)9-21-16(20)12-5-4-6-13(17)8-12/h4-8H,9H2,1-3H3