tert-butyl 4-[[(3-nitroquinolin-4-yl)amino]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-nitroquinolin-4-yl)amino]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-nitro-4-quinolyl)amino]methyl]piperazine-1-carboxylate CAS Name: 4-[[(3-nitro-4-quinolinyl)amino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-nitroquinolin-4-yl)amino]methyl]piperazine-1-carboxylate Traditional Name: 4-[[(3-nitro-4-quinolyl)amino]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CNC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CNC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-19(2,3)28-18(25)23-10-8-22(9-11-23)13-21-17-14-6-4-5-7-15(14)20-12-16(17)24(26)27/h4-7,12H,8-11,13H2,1-3H3,(H,20,21)