ethyl 4-[[4-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(3-nitro-1H-pyrazol-5-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[(3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(3-nitro-1H-pyrazole-5-carbonyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H27N7O6 MolecularWeight: 437.45028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N7O6/c1-2-31-17(28)24-9-3-12(4-10-24)20-16(27)18(5-7-19-8-6-18)21-15(26)13-11-14(23-22-13)25(29)30/h11-12,19H,2-10H2,1H3,(H,20,27)(H,21,26)(H,22,23)