[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CN2

InChI

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