2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-[bis(azanyl)methylideneamino]-5-oxidanylidene-pentanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-[bis(azanyl)methylideneamino]-5-oxidanylidene-pentanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 5-guanidino-5-oxo-pentanoate CAS Name: 5-(diaminomethylideneamino)-5-oxopentanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 5-(diaminomethylideneamino)-5-oxopentanoate Traditional Name: 5-guanidino-5-keto-valeric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C12H18N6O5 MolecularWeight: 326.30852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCCC(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCCC(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O5/c1-8-15-7-10(18(21)22)17(8)5-6-23-11(20)4-2-3-9(19)16-12(13)14/h7H,2-6H2,1H3,(H4,13,14,16,19)