4-azanyl-5-isocyanato-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-isocyanato-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-isocyanato-5-oxo-pentanoic acid CAS Name: 4-amino-5-isocyanato-5-oxopentanoic acid IUPAC Name: 4-amino-5-isocyanato-5-oxopentanoic acid Traditional Name: 4-amino-5-isocyanato-5-keto-valeric acid Formula: C6H8N2O4 MolecularWeight: 172.13872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2O4/c7-4(1-2-5(10)11)6(12)8-3-9/h4H,1-2,7H2,(H,10,11)