4-azanyl-3-(cyanomethyl)-3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 4-azanyl-3-(cyanomethyl)-3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 4-amino-3-(cyanomethyl)-3-hydroxy-4-oxo-butanoate CAS Name: 4-amino-3-(cyanomethyl)-3-hydroxy-4-oxobutanoate IUPAC Name: 4-amino-3-(cyanomethyl)-3-hydroxy-4-oxobutanoate Traditional Name: 4-amino-3-(cyanomethyl)-3-hydroxy-4-keto-butyrate Formula: C6H7N2O4- MolecularWeight: 171.13078

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)C(CC(=O)[O-])(C(=O)N)O

Isomeric SMILES

C(C#N)C(CC(=O)[O-])(C(=O)N)O

InChI

InChI=1S/C6H8N2O4/c7-2-1-6(12,5(8)11)3-4(9)10/h12H,1,3H2,(H2,8,11)(H,9,10)/p-1