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

Systemtic Name: tert-butyl N-[4-[(2-chloranyl-3-nitro-quinolin-4-yl)amino]butyl]carbamate Openeye Name: tert-butyl N-[4-[(2-chloro-3-nitro-4-quinolyl)amino]butyl]carbamate CAS Name: N-[4-[(2-chloro-3-nitro-4-quinolinyl)amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-chloro-3-nitroquinolin-4-yl)amino]butyl]carbamate Traditional Name: N-[4-[(2-chloro-3-nitro-4-quinolyl)amino]butyl]carbamic acid tert-butyl ester Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN4O4/c1-18(2,3)27-17(24)21-11-7-6-10-20-14-12-8-4-5-9-13(12)22-16(19)15(14)23(25)26/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,24)