tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-nitro-8-quinolyl)piperazine-1-carboxylate CAS Name: 4-(5-nitro-8-quinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(5-nitro-8-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=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3

InChI

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