methyl 1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]isonipecotic acid methyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23N3O6/c1-11(19-8-6-12(7-9-19)17(22)26-3)16(21)18-14-10-13(20(23)24)4-5-15(14)25-2/h4-5,10-12H,6-9H2,1-3H3,(H,18,21)/t11-/m1/s1