(phenylmethyl) 3-[1-(1-methyl-5-nitro-pyrazol-4-yl)carbonylpiperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: (phenylmethyl) 3-[1-(1-methyl-5-nitro-pyrazol-4-yl)carbonylpiperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: benzyl 3-[1-(1-methyl-5-nitro-pyrazole-4-carbonyl)-4-piperidyl]-2-oxo-oxazolidine-4-carboxylate CAS Name: 3-[1-[(1-methyl-5-nitro-4-pyrazolyl)-oxomethyl]-4-piperidinyl]-2-oxo-4-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[1-(1-methyl-5-nitropyrazole-4-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 2-keto-3-[1-(1-methyl-5-nitro-pyrazole-4-carbonyl)-4-piperidyl]oxazolidine-4-carboxylic acid benzyl ester Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCC(CC2)N3C(COC3=O)C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCC(CC2)N3C(COC3=O)C(=O)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O7/c1-23-18(26(30)31)16(11-22-23)19(27)24-9-7-15(8-10-24)25-17(13-33-21(25)29)20(28)32-12-14-5-3-2-4-6-14/h2-6,11,15,17H,7-10,12-13H2,1H3