[4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-oxidanylidene-butyl] ethanoate

Systemtic Name: [4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-oxidanylidene-butyl] ethanoate Openeye Name: [4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-oxo-butyl] acetate CAS Name: acetic acid [4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-oxobutyl] ester IUPAC Name: [4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-oxobutyl] acetate Traditional Name: acetic acid [4-(4,5-dimethyl-1H-pyrrol-3-yl)-4-keto-butyl] ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)CCCOC(=O)C)C

Isomeric SMILES

CC1=C(NC=C1C(=O)CCCOC(=O)C)C

InChI

InChI=1S/C12H17NO3/c1-8-9(2)13-7-11(8)12(15)5-4-6-16-10(3)14/h7,13H,4-6H2,1-3H3