N-methyl-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine oxide

Systemtic Name: N-methyl-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine oxide Openeye Name: N-methyl-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine oxide CAS Name: N-methyl-N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-(2-nitro-1-imidazolyl)-1-butanamine oxide IUPAC Name: N-methyl-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine oxide Traditional Name: N-methyl-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine oxide Formula: C14H21N7O5 MolecularWeight: 367.36044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC[N+](C)(CCCCN2C=CN=C2[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC[N+](C)(CCCCN2C=CN=C2[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N7O5/c1-12-16-11-13(19(22)23)18(12)8-10-21(2,26)9-4-3-6-17-7-5-15-14(17)20(24)25/h5,7,11H,3-4,6,8-10H2,1-2H3