tert-butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-nitro-6-quinolyl)piperazine-1-carboxylate CAS Name: 4-(5-nitro-6-quinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(5-nitro-6-quinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14-13(5-4-8-19-14)16(15)22(24)25/h4-8H,9-12H2,1-3H3