N,N'-bis(2-azanylethyl)-2-[5-(2-methyl-4-nitro-imidazol-1-yl)pentyl]propanediamide

Systemtic Name: N,N'-bis(2-azanylethyl)-2-[5-(2-methyl-4-nitro-imidazol-1-yl)pentyl]propanediamide Openeye Name: N,N'-bis(2-aminoethyl)-2-[5-(2-methyl-4-nitro-imidazol-1-yl)pentyl]propanediamide CAS Name: N,N'-bis(2-aminoethyl)-2-[5-(2-methyl-4-nitro-1-imidazolyl)pentyl]propanediamide IUPAC Name: N,N'-bis(2-aminoethyl)-2-[5-(2-methyl-4-nitroimidazol-1-yl)pentyl]propanediamide Traditional Name: N,N'-bis(2-aminoethyl)-2-[5-(2-methyl-4-nitro-imidazol-1-yl)pentyl]malonamide Formula: C16H29N7O4 MolecularWeight: 383.44596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCCCCC(C(=O)NCCN)C(=O)NCCN)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCCCCC(C(=O)NCCN)C(=O)NCCN)[N+](=O)[O-]

InChI

InChI=1S/C16H29N7O4/c1-12-21-14(23(26)27)11-22(12)10-4-2-3-5-13(15(24)19-8-6-17)16(25)20-9-7-18/h11,13H,2-10,17-18H2,1H3,(H,19,24)(H,20,25)