tert-butyl N-[[4-[[(7-bromanyl-3-nitro-quinolin-4-yl)amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[(7-bromanyl-3-nitro-quinolin-4-yl)amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[(7-bromo-3-nitro-4-quinolyl)amino]methyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(7-bromo-3-nitro-4-quinolinyl)amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(7-bromo-3-nitroquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[(7-bromo-3-nitro-4-quinolyl)amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C22H23BrN4O4/c1-22(2,3)31-21(28)26-12-15-6-4-14(5-7-15)11-25-20-17-9-8-16(23)10-18(17)24-13-19(20)27(29)30/h4-10,13H,11-12H2,1-3H3,(H,24,25)(H,26,28)