[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H19N5O5/c24-16(21-13-6-1-2-7-14(13)23(26)27)12-28-17(25)15-8-3-4-11-22(15)18-19-9-5-10-20-18/h1-2,5-7,9-10,15H,3-4,8,11-12H2,(H,21,24)