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

Systemtic Name: 1-[3,4-bis(azanyl)-2-(3-oxidanylidenebutanoyl)phenyl]butane-1,3-dione Openeye Name: 1-[3,4-diamino-2-(3-oxobutanoyl)phenyl]butane-1,3-dione CAS Name: 1-[3,4-diamino-2-(1,3-dioxobutyl)phenyl]butane-1,3-dione IUPAC Name: 1-[3,4-diamino-2-(3-oxobutanoyl)phenyl]butane-1,3-dione Traditional Name: 1-(2-acetoacetyl-3,4-diamino-phenyl)butane-1,3-dione Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-7(17)5-11(19)9-3-4-10(15)14(16)13(9)12(20)6-8(2)18/h3-4H,5-6,15-16H2,1-2H3