ethyl 1-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C17H22ClN3O5 MolecularWeight: 383.82668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN3O5/c1-3-26-17(23)12-6-8-20(9-7-12)11(2)16(22)19-15-5-4-13(21(24)25)10-14(15)18/h4-5,10-12H,3,6-9H2,1-2H3,(H,19,22)