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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO3/c1-10-5-6-12(11(2)8-10)15(18)19-9-14(17)13-4-3-7-16-13/h3-8,16H,9H2,1-2H3