tert-butyl 4-(4-azanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-azanyl-3-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-amino-3-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(4-amino-3-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-amino-3-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-amino-3-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)11-4-5-12(17)13(10-11)20(23)24/h4-5,10H,6-9,17H2,1-3H3