methyl 1-[2-(2-nitrophenyl)ethyl]-4-phenylazanyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-nitrophenyl)ethyl]-4-phenylazanyl-piperidine-4-carboxylate Openeye Name: methyl 4-anilino-1-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxylate CAS Name: 4-anilino-1-[2-(2-nitrophenyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-anilino-1-[2-(2-nitrophenyl)ethyl]piperidine-4-carboxylate Traditional Name: 4-anilino-1-[2-(2-nitrophenyl)ethyl]isonipecotic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4/c1-28-20(25)21(22-18-8-3-2-4-9-18)12-15-23(16-13-21)14-11-17-7-5-6-10-19(17)24(26)27/h2-10,22H,11-16H2,1H3