3-azanyl-4-(4-nitrooxybutylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-(4-nitrooxybutylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(4-nitrooxybutylamino)-4-oxo-butanoic acid CAS Name: 3-amino-4-(4-nitrooxybutylamino)-4-oxobutanoic acid IUPAC Name: 3-amino-4-(4-nitrooxybutylamino)-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-(4-nitrooxybutylamino)butyric acid Formula: C8H15N3O6 MolecularWeight: 249.2212

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Descriptors Computed from Structure

Canonical SMILES:

C(CCO[N+](=O)[O-])CNC(=O)C(CC(=O)O)N

Isomeric SMILES

C(CCO[N+](=O)[O-])CNC(=O)C(CC(=O)O)N

InChI

InChI=1S/C8H15N3O6/c9-6(5-7(12)13)8(14)10-3-1-2-4-17-11(15)16/h6H,1-5,9H2,(H,10,14)(H,12,13)