N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-15(17-7-3-6-10-20(17)28-2)22-21(25)16-11-13-23(14-12-16)18-8-4-5-9-19(18)24(26)27/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)/t15-/m0/s1