ethyl 4-[[4-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[3-(2-methyl-4-nitro-1-imidazolyl)-1-oxopropyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-(2-methyl-4-nitroimidazol-1-yl)propanoylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H33N7O6 MolecularWeight: 479.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CCN3C=C(N=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CCN3C=C(N=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H33N7O6/c1-3-34-20(31)26-11-4-16(5-12-26)24-19(30)21(7-9-22-10-8-21)25-18(29)6-13-27-14-17(28(32)33)23-15(27)2/h14,16,22H,3-13H2,1-2H3,(H,24,30)(H,25,29)