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

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-(2-nitro-1-imidazolyl)-1-butanamine IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butan-1-amine Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl-[4-(2-nitroimidazol-1-yl)butyl]amine Formula: C13H19N7O4 MolecularWeight: 337.33446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N7O4/c1-11-16-10-12(19(21)22)18(11)9-5-14-4-2-3-7-17-8-6-15-13(17)20(23)24/h6,8,10,14H,2-5,7,9H2,1H3