ethyl 1-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(benzylamino)-4-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-nitro-3-[(phenylmethyl)amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzylamino)-4-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[3-(benzylamino)-4-nitro-phenyl]isonipecotic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

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