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

Systemtic Name: (3-nitrooxyphenyl) 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate hydrochloride Openeye Name: (3-nitrooxyphenyl) 2-amino-5-guanidino-pentanoate hydrochloride CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid (3-nitrooxyphenyl) ester hydrochloride IUPAC Name: (3-nitrooxyphenyl) 2-amino-5-(diaminomethylideneamino)pentanoate hydrochloride Traditional Name: 2-amino-5-guanidino-valeric acid (3-nitrooxyphenyl) ester hydrochloride Formula: C12H18ClN5O5 MolecularWeight: 347.75482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O5.ClH/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);1H