[4-(2-nitrooxyethyl)phenyl] 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: [4-(2-nitrooxyethyl)phenyl] 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: [4-(2-nitrooxyethyl)phenyl] 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid [4-(2-nitrooxyethyl)phenyl] ester IUPAC Name: [4-(2-nitrooxyethyl)phenyl] 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid [4-(2-nitrooxyethyl)phenyl] ester Formula: C14H21N5O5 MolecularWeight: 339.34704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCO[N+](=O)[O-])OC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC(=CC=C1CCO[N+](=O)[O-])OC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C14H21N5O5/c15-12(2-1-8-18-14(16)17)13(20)24-11-5-3-10(4-6-11)7-9-23-19(21)22/h3-6,12H,1-2,7-9,15H2,(H4,16,17,18)