[3-(butanoylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate

Systemtic Name: [3-(butanoylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-yl] ethanoate Openeye Name: [3-(butanoylamino)-6-oxo-cyclohexa-2,4-dien-1-yl] acetate CAS Name: acetic acid [6-oxo-3-(1-oxobutylamino)-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [3-(butanoylamino)-6-oxocyclohexa-2,4-dien-1-yl] acetate Traditional Name: acetic acid (3-butyramido-6-keto-cyclohexa-2,4-dien-1-yl) ester Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(C(=O)C=C1)OC(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(C(=O)C=C1)OC(=O)C

InChI

InChI=1S/C12H15NO4/c1-3-4-12(16)13-9-5-6-10(15)11(7-9)17-8(2)14/h5-7,11H,3-4H2,1-2H3,(H,13,16)