3-azanyl-4-(2-ethanoylcyclohexa-1,3-dien-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-(2-ethanoylcyclohexa-1,3-dien-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-acetylcyclohexa-1,3-dien-1-yl)-3-amino-4-oxo-butanoic acid CAS Name: 4-(2-acetyl-1-cyclohexa-1,3-dienyl)-3-amino-4-oxobutanoic acid IUPAC Name: 4-(2-acetylcyclohexa-1,3-dien-1-yl)-3-amino-4-oxobutanoic acid Traditional Name: 4-(2-acetylcyclohexa-1,3-dien-1-yl)-3-amino-4-keto-butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CCC=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

CC(=O)C1=C(CCC=C1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C12H15NO4/c1-7(14)8-4-2-3-5-9(8)12(17)10(13)6-11(15)16/h2,4,10H,3,5-6,13H2,1H3,(H,15,16)