ethyl 1-[3,4,5-triacetyloxy-6-[(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-[(2-ethyl-5-methyl-4-nitro-pyrazol-3-yl)carbonylamino]oxan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-[(2-ethyl-5-methyl-4-nitro-pyrazole-3-carbonyl)amino]tetrahydropyran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3,4,5-triacetyloxy-6-[[(2-ethyl-5-methyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-2-oxanyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-[(2-ethyl-5-methyl-4-nitropyrazole-3-carbonyl)amino]oxane-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-[(2-ethyl-5-methyl-4-nitro-pyrazole-3-carbonyl)amino]tetrahydropyran-2-carbonyl]isonipecotic acid ethyl ester Formula: C27H37N5O13 MolecularWeight: 639.60838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NC2C(C(C(C(O2)C(=O)N3CCC(CC3)C(=O)OCC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)[N+](=O)[O-])C(=O)NC2C(C(C(C(O2)C(=O)N3CCC(CC3)C(=O)OCC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H37N5O13/c1-7-31-19(18(32(39)40)13(3)29-31)24(36)28-25-22(44-16(6)35)20(42-14(4)33)21(43-15(5)34)23(45-25)26(37)30-11-9-17(10-12-30)27(38)41-8-2/h17,20-23,25H,7-12H2,1-6H3,(H,28,36)