methyl 1-[4-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]piperidine-4-carboxylate CAS Name: 1-[4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopentyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]isonipecotic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6/c1-13(2)12-17(19(25)22-10-8-15(9-11-22)20(26)29-3)21-18(24)14-4-6-16(7-5-14)23(27)28/h4-7,13,15,17H,8-12H2,1-3H3,(H,21,24)