tert-butyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-anilino]piperidine-1-carboxylate CAS Name: 4-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-nitroanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitroanilino]piperidine-1-carboxylate Traditional Name: 4-[4-nitro-2-(piperonylcarbamoyl)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H30N4O7/c1-25(2,3)36-24(31)28-10-8-17(9-11-28)27-20-6-5-18(29(32)33)13-19(20)23(30)26-14-16-4-7-21-22(12-16)35-15-34-21/h4-7,12-13,17,27H,8-11,14-15H2,1-3H3,(H,26,30)