methyl 1-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-benzoyl-2-nitro-anilino)propyl]piperidine-4-carboxylate CAS Name: 1-[3-(4-benzoyl-2-nitroanilino)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-benzoyl-2-nitroanilino)propyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-benzoyl-2-nitro-anilino)propyl]isonipecotic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-31-23(28)18-10-14-25(15-11-18)13-5-12-24-20-9-8-19(16-21(20)26(29)30)22(27)17-6-3-2-4-7-17/h2-4,6-9,16,18,24H,5,10-15H2,1H3