methyl 1-[2-[4-(dimethylamino)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(dimethylamino)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(dimethylamino)-3-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(dimethylamino)-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(dimethylamino)-3-nitro-benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O7/c1-19(2)14-5-4-13(10-15(14)21(25)26)18(24)28-11-16(22)20-8-6-12(7-9-20)17(23)27-3/h4-5,10,12H,6-9,11H2,1-3H3