diethyl 2-[(5-nitro-2-piperidin-1-ylcarbonyl-phenyl)amino]-2-piperidin-1-yl-propanedioate

Systemtic Name: diethyl 2-[(5-nitro-2-piperidin-1-ylcarbonyl-phenyl)amino]-2-piperidin-1-yl-propanedioate Openeye Name: diethyl 2-[5-nitro-2-(piperidine-1-carbonyl)anilino]-2-(1-piperidyl)propanedioate CAS Name: 2-[5-nitro-2-[oxo(1-piperidinyl)methyl]anilino]-2-(1-piperidinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-nitro-2-(piperidine-1-carbonyl)anilino]-2-piperidin-1-ylpropanedioate Traditional Name: 2-[5-nitro-2-(piperidine-1-carbonyl)anilino]-2-piperidino-malonic acid diethyl ester Formula: C24H34N4O7 MolecularWeight: 490.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC2)N3CCCCC3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC2)N3CCCCC3

InChI

InChI=1S/C24H34N4O7/c1-3-34-22(30)24(23(31)35-4-2,27-15-9-6-10-16-27)25-20-17-18(28(32)33)11-12-19(20)21(29)26-13-7-5-8-14-26/h11-12,17,25H,3-10,13-16H2,1-2H3