N-[(4-chlorophenyl)methyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(4-chlorophenyl)methyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(4-chlorophenyl)methyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-8-nitroisoquinolin-5-amine Traditional Name: (4-chlorobenzyl)-(8-nitro-5-isoquinolyl)amine Formula: C16H12ClN3O2 MolecularWeight: 313.73838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O2/c17-12-3-1-11(2-4-12)9-19-15-5-6-16(20(21)22)14-10-18-8-7-13(14)15/h1-8,10,19H,9H2