4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-3-(oxidanylidenemethylidene)cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-3-(oxidanylidenemethylidene)cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-3-(oxomethylene)cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-amino-2-(2-amino-3-methyl-1-oxobutyl)-3-(oxomethylidene)-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-amino-2-(2-amino-3-methylbutanoyl)-3-(oxomethylidene)cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-3-(ketomethylene)cyclohexa-1,5-diene-1-carboxylic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c1-6(2)11(15)12(17)10-7(13(18)19)3-4-9(14)8(10)5-16/h3-4,6,9,11H,14-15H2,1-2H3,(H,18,19)