tert-butyl 4-(3-methoxycarbonyl-4-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-methoxycarbonyl-4-nitro-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-methoxycarbonyl-4-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-methoxycarbonyl-4-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methoxycarbonyl-4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(3-carbomethoxy-4-nitro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H23N3O6/c1-17(2,3)26-16(22)19-9-7-18(8-10-19)12-5-6-14(20(23)24)13(11-12)15(21)25-4/h5-6,11H,7-10H2,1-4H3