1-[3-azanyl-2,5-dimethyl-4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione

Systemtic Name: 1-[3-azanyl-2,5-dimethyl-4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione Openeye Name: 1-[3-amino-2,5-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione CAS Name: 1-[3-amino-4-(1,3-dioxobutyl)-2,5-dimethylphenyl]butane-1,3-dione IUPAC Name: 1-[3-amino-2,5-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione Traditional Name: 1-(4-acetoacetyl-3-amino-2,5-dimethyl-phenyl)butane-1,3-dione Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-8-5-12(13(20)6-9(2)18)11(4)16(17)15(8)14(21)7-10(3)19/h5H,6-7,17H2,1-4H3