tert-butyl 4-(7-nitroquinolin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-nitroquinolin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-nitro-4-quinolyl)piperazine-1-carboxylate CAS Name: 4-(7-nitro-4-quinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-nitroquinolin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-nitro-4-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=CC(=CC3=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=NC=C2)[N+](=O)[O-]

InChI

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