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

Systemtic Name: methyl 1-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[4-(dimethylamino)-3-nitro-benzoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(dimethylamino)-3-nitrobenzoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(dimethylamino)-3-nitro-benzoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-23(2)18-10-9-16(15-19(18)25(28)29)20(26)24-13-11-22(12-14-24,21(27)30-3)17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3