1-[2,5-bis(azanyl)-3,6-dimethyl-4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione

Systemtic Name: 1-[2,5-bis(azanyl)-3,6-dimethyl-4-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione Openeye Name: 1-[2,5-diamino-3,6-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione CAS Name: 1-[2,5-diamino-4-(1,3-dioxobutyl)-3,6-dimethylphenyl]butane-1,3-dione IUPAC Name: 1-[2,5-diamino-3,6-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione Traditional Name: 1-(4-acetoacetyl-2,5-diamino-3,6-dimethyl-phenyl)butane-1,3-dione Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C(=O)CC(=O)C)C)N)C(=O)CC(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C(=O)CC(=O)C)C)N)C(=O)CC(=O)C

InChI

InChI=1S/C16H20N2O4/c1-7(19)5-11(21)13-9(3)16(18)14(10(4)15(13)17)12(22)6-8(2)20/h5-6,17-18H2,1-4H3