2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethanoate

Systemtic Name: 2-[2-(4-methylphenyl)carbonylpyrrol-1-yl]ethanoate Openeye Name: 2-[2-(4-methylbenzoyl)pyrrol-1-yl]acetate CAS Name: 2-[2-[(4-methylphenyl)-oxomethyl]-1-pyrrolyl]acetate IUPAC Name: 2-[2-(4-methylbenzoyl)pyrrol-1-yl]acetate Traditional Name: 2-(2-p-toluoylpyrrol-1-yl)acetate Formula: C14H12NO3- MolecularWeight: 242.24998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CN2CC(=O)[O-]

InChI

InChI=1S/C14H13NO3/c1-10-4-6-11(7-5-10)14(18)12-3-2-8-15(12)9-13(16)17/h2-8H,9H2,1H3,(H,16,17)/p-1