tert-butyl 3-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-anilino]piperidine-1-carboxylate CAS Name: 3-[2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitroanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitroanilino]piperidine-1-carboxylate Traditional Name: 3-[4-nitro-2-(veratrylcarbamoyl)anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H34N4O7 MolecularWeight: 514.57076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H34N4O7/c1-26(2,3)37-25(32)29-12-6-7-18(16-29)28-21-10-9-19(30(33)34)14-20(21)24(31)27-15-17-8-11-22(35-4)23(13-17)36-5/h8-11,13-14,18,28H,6-7,12,15-16H2,1-5H3,(H,27,31)