azane; N-(4-methylphenyl)-3-oxidanylidene-butanamide

Systemtic Name: azane; N-(4-methylphenyl)-3-oxidanylidene-butanamide Openeye Name: ammonia; 3-oxo-N-(p-tolyl)butanamide CAS Name: ammonia; N-(4-methylphenyl)-3-oxobutanamide IUPAC Name: azane; N-(4-methylphenyl)-3-oxobutanamide Traditional Name: ammonia; 3-keto-N-(p-tolyl)butyramide Formula: C11H16N2O2 MolecularWeight: 208.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(=O)C.N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(=O)C.N

InChI

InChI=1S/C11H13NO2.H3N/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13;/h3-6H,7H2,1-2H3,(H,12,14);1H3