ethyl 2-[2-methyl-5-(2-oxidanylidenepropyl)pyrrol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-methyl-5-(2-oxidanylidenepropyl)pyrrol-1-yl]ethanoate Openeye Name: ethyl 2-(2-acetonyl-5-methyl-pyrrol-1-yl)acetate CAS Name: 2-[2-methyl-5-(2-oxopropyl)-1-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-5-(2-oxopropyl)pyrrol-1-yl]acetate Traditional Name: 2-(2-acetonyl-5-methyl-pyrrol-1-yl)acetic acid ethyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CC=C1CC(=O)C)C

Isomeric SMILES

CCOC(=O)CN1C(=CC=C1CC(=O)C)C

InChI

InChI=1S/C12H17NO3/c1-4-16-12(15)8-13-9(2)5-6-11(13)7-10(3)14/h5-6H,4,7-8H2,1-3H3