3-oxidanylidenebutanamide; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: 3-oxidanylidenebutanamide; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: 3-oxobutanamide; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: 3-oxobutanamide; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-oxobutanamide; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: acetoacetamide; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C17H28N2O5 MolecularWeight: 340.41462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O.2C4H7NO2/c1-7-4-8(10)6-9(2,3)5-7;2*1-3(6)2-4(5)7/h4H,5-6H2,1-3H3;2*2H2,1H3,(H2,5,7)