(3-nitrooxyphenyl) 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: (3-nitrooxyphenyl) 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: (3-nitrooxyphenyl) 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid (3-nitrooxyphenyl) ester IUPAC Name: (3-nitrooxyphenyl) 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid (3-nitrooxyphenyl) ester Formula: C12H17N5O5 MolecularWeight: 311.29388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O[N+](=O)[O-])OC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC(=CC(=C1)O[N+](=O)[O-])OC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C12H17N5O5/c13-10(5-2-6-16-12(14)15)11(18)21-8-3-1-4-9(7-8)22-17(19)20/h1,3-4,7,10H,2,5-6,13H2,(H4,14,15,16)