3-azanyl-4-[[1-oxidanyl-1,3-bis(oxidanylidene)butan-2-yl]-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-oxidanyl-1,3-bis(oxidanylidene)butan-2-yl]-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(N-(1-carboxy-2-oxo-propyl)anilino)-4-oxo-butanoic acid CAS Name: 3-amino-4-(N-(1-hydroxy-1,3-dioxobutan-2-yl)anilino)-4-oxobutanoic acid IUPAC Name: 3-amino-4-(N-(1-hydroxy-1,3-dioxobutan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-amino-4-(N-(1-carboxy-2-keto-propyl)anilino)-4-keto-butyric acid Formula: C14H16N2O6 MolecularWeight: 308.28664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c1-8(17)12(14(21)22)16(9-5-3-2-4-6-9)13(20)10(15)7-11(18)19/h2-6,10,12H,7,15H2,1H3,(H,18,19)(H,21,22)