tert-butyl N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-nitro-carbamate

Systemtic Name: tert-butyl N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-nitro-carbamate Openeye Name: tert-butyl N-[(1S)-1-formyl-4-guanidino-butyl]-N-nitro-carbamate CAS Name: N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-nitrocarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-nitrocarbamate Traditional Name: N-[(1S)-1-formyl-4-guanidino-butyl]-N-nitro-carbamic acid tert-butyl ester Formula: C11H21N5O5 MolecularWeight: 303.31494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](CCCN=C(N)N)C=O)[N+](=O)[O-]

InChI

InChI=1S/C11H21N5O5/c1-11(2,3)21-10(18)15(16(19)20)8(7-17)5-4-6-14-9(12)13/h7-8H,4-6H2,1-3H3,(H4,12,13,14)/t8-/m0/s1