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

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[(1S)-1-(o-tolyl)ethyl]piperidine-4-carboxamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)-N-[(1S)-1-(o-tolyl)ethyl]isonipecotamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-15-7-3-4-8-18(15)16(2)22-21(25)17-11-13-23(14-12-17)19-9-5-6-10-20(19)24(26)27/h3-10,16-17H,11-14H2,1-2H3,(H,22,25)/t16-/m0/s1