2-[(2-butanoyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoic acid

Systemtic Name: 2-[(2-butanoyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoic acid Openeye Name: 2-[(2-butanoyl-3-oxo-cyclohexen-1-yl)amino]acetic acid CAS Name: 2-[[3-oxo-2-(1-oxobutyl)-1-cyclohexenyl]amino]acetic acid IUPAC Name: 2-[(2-butanoyl-3-oxocyclohexen-1-yl)amino]acetic acid Traditional Name: 2-[(2-butyryl-3-keto-cyclohexen-1-yl)amino]acetic acid Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CCCC1=O)NCC(=O)O

Isomeric SMILES

CCCC(=O)C1=C(CCCC1=O)NCC(=O)O

InChI

InChI=1S/C12H17NO4/c1-2-4-9(14)12-8(13-7-11(16)17)5-3-6-10(12)15/h13H,2-7H2,1H3,(H,16,17)