ethyl 1-[4-[(4-ethylphenyl)carbamoyl]-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-ethylphenyl)carbamoyl]-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-ethylphenyl)carbamoyl]-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4-ethylanilino)-oxomethyl]-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-ethylphenyl)carbamoyl]-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-ethylphenyl)carbamoyl]-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-16-5-8-19(9-6-16)24-22(27)18-7-10-20(21(15-18)26(29)30)25-13-11-17(12-14-25)23(28)31-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,24,27)