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

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: [3-(nitrooxymethyl)phenyl] 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid [3-(nitrooxymethyl)phenyl] ester Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O5/c14-11(5-2-6-17-13(15)16)12(19)23-10-4-1-3-9(7-10)8-22-18(20)21/h1,3-4,7,11H,2,5-6,8,14H2,(H4,15,16,17)