tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)carbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2,5-dimethyl-4-(4-nitrophenyl)carbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl 2,5-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate CAS Name: 2,5-dimethyl-4-[(4-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrobenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-12-11-20(17(23)26-18(3,4)5)13(2)10-19(12)16(22)14-6-8-15(9-7-14)21(24)25/h6-9,12-13H,10-11H2,1-5H3