methyl (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-5-nitro-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]-5-nitro-pentanoate Openeye Name: methyl (2S)-2-amino-5-guanidino-5-nitro-pentanoate CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)-5-nitropentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(diaminomethylideneamino)-5-nitropentanoate Traditional Name: (2S)-2-amino-5-guanidino-5-nitro-valeric acid methyl ester Formula: C7H15N5O4 MolecularWeight: 233.2251

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(N=C(N)N)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)[C@H](CCC(N=C(N)N)[N+](=O)[O-])N

InChI

InChI=1S/C7H15N5O4/c1-16-6(13)4(8)2-3-5(12(14)15)11-7(9)10/h4-5H,2-3,8H2,1H3,(H4,9,10,11)/t4-,5?/m0/s1