methyl 1-[5-methoxy-2-nitro-3-[(phenylmethyl)amino]phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-methoxy-2-nitro-3-[(phenylmethyl)amino]phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(benzylamino)-5-methoxy-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[5-methoxy-2-nitro-3-[(phenylmethyl)amino]phenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(benzylamino)-5-methoxy-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[3-(benzylamino)-5-methoxy-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CCC(CC2)C(=O)OC)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5/c1-28-17-12-18(22-14-15-6-4-3-5-7-15)20(24(26)27)19(13-17)23-10-8-16(9-11-23)21(25)29-2/h3-7,12-13,16,22H,8-11,14H2,1-2H3