[(2Z)-2-(2-methylpropylidene)-5-oxidanylidene-pyrrol-3-yl] butanoate

Systemtic Name: [(2Z)-2-(2-methylpropylidene)-5-oxidanylidene-pyrrol-3-yl] butanoate Openeye Name: [(2Z)-2-(2-methylpropylidene)-5-oxo-pyrrol-3-yl] butanoate CAS Name: butanoic acid [(2Z)-2-(2-methylpropylidene)-5-oxo-3-pyrrolyl] ester IUPAC Name: [(2Z)-2-(2-methylpropylidene)-5-oxopyrrol-3-yl] butanoate Traditional Name: butyric acid [(2Z)-5-keto-2-(2-methylpropylidene)-3-pyrrolin-3-yl] ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=O)NC1=CC(C)C

Isomeric SMILES

CCCC(=O)OC\1=CC(=O)N/C1=C\C(C)C

InChI

InChI=1S/C12H17NO3/c1-4-5-12(15)16-10-7-11(14)13-9(10)6-8(2)3/h6-8H,4-5H2,1-3H3,(H,13,14)/b9-6-