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

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butanamide Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butanamide CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-(2-nitro-1-imidazolyl)butanamide IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butanamide Traditional Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(2-nitroimidazol-1-yl)butyramide Formula: C13H17N7O5 MolecularWeight: 351.31798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O5/c1-10-16-9-12(19(22)23)18(10)8-5-14-11(21)3-2-6-17-7-4-15-13(17)20(24)25/h4,7,9H,2-3,5-6,8H2,1H3,(H,14,21)