tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-tert-butoxycarbonyl-2-nitro-anilino)piperidine-1-carboxylate CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-nitroanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitroanilino]piperidine-1-carboxylate Traditional Name: 4-(4-tert-butoxycarbonyl-2-nitro-anilino)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O6/c1-20(2,3)29-18(25)14-7-8-16(17(13-14)24(27)28)22-15-9-11-23(12-10-15)19(26)30-21(4,5)6/h7-8,13,15,22H,9-12H2,1-6H3