[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN5O5 MolecularWeight: 419.81902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O5/c19-13-6-5-12(24(27)28)10-14(13)22-16(25)11-29-17(26)15-4-1-2-9-23(15)18-20-7-3-8-21-18/h3,5-8,10,15H,1-2,4,9,11H2,(H,22,25)