tert-butyl N-[3-[(2-chloranyl-3-nitro-quinolin-4-yl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(2-chloranyl-3-nitro-quinolin-4-yl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(2-chloro-3-nitro-4-quinolyl)amino]propyl]carbamate CAS Name: N-[3-[(2-chloro-3-nitro-4-quinolinyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(2-chloro-3-nitroquinolin-4-yl)amino]propyl]carbamate Traditional Name: N-[3-[(2-chloro-3-nitro-4-quinolyl)amino]propyl]carbamic acid tert-butyl ester Formula: C17H21ClN4O4 MolecularWeight: 380.82604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O4/c1-17(2,3)26-16(23)20-10-6-9-19-13-11-7-4-5-8-12(11)21-15(18)14(13)22(24)25/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,21)(H,20,23)