2-[[1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[(1-carbamoyl-4-hydroxy-4-oxo-butyl)carbamoyl]benzoic acid CAS Name: 2-[[(1-amino-5-hydroxy-1,5-dioxopentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1-amino-5-hydroxy-1,5-dioxopentan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(1-carbamoyl-4-hydroxy-4-keto-butyl)carbamoyl]benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c14-11(18)9(5-6-10(16)17)15-12(19)7-3-1-2-4-8(7)13(20)21/h1-4,9H,5-6H2,(H2,14,18)(H,15,19)(H,16,17)(H,20,21)