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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-[2-[bis(azanyl)methylideneamino]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 2-(2-guanidino-2-oxo-ethoxy)acetate CAS Name: 2-[2-(diaminomethylideneamino)-2-oxoethoxy]acetic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-[2-(diaminomethylideneamino)-2-oxoethoxy]acetate Traditional Name: 2-(2-guanidino-2-keto-ethoxy)acetic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H16N6O6 MolecularWeight: 328.28134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N6O6/c1-7-14-4-9(17(20)21)16(7)2-3-23-10(19)6-22-5-8(18)15-11(12)13/h4H,2-3,5-6H2,1H3,(H4,12,13,15,18)