phenylmethoxycarbonyl 5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoate

Systemtic Name: phenylmethoxycarbonyl 5-[bis(azanyl)methylideneamino]-2-nitramido-pentanoate Openeye Name: benzyloxycarbonyl 5-guanidino-2-nitramido-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-nitramidopentanoic acid phenylmethoxycarbonyl ester IUPAC Name: phenylmethoxycarbonyl 5-(diaminomethylideneamino)-2-nitramidopentanoate Traditional Name: 5-guanidino-2-nitramido-valeric acid carbobenzoxy ester Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O6/c15-13(16)17-8-4-7-11(18-19(22)23)12(20)25-14(21)24-9-10-5-2-1-3-6-10/h1-3,5-6,11,18H,4,7-9H2,(H4,15,16,17)