N-(4-methylphenyl)-8-nitro-isoquinolin-5-amine

Systemtic Name: N-(4-methylphenyl)-8-nitro-isoquinolin-5-amine Openeye Name: 8-nitro-N-(p-tolyl)isoquinolin-5-amine CAS Name: N-(4-methylphenyl)-8-nitro-5-isoquinolinamine IUPAC Name: N-(4-methylphenyl)-8-nitroisoquinolin-5-amine Traditional Name: (8-nitro-5-isoquinolyl)-(p-tolyl)amine Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2/c1-11-2-4-12(5-3-11)18-15-6-7-16(19(20)21)14-10-17-9-8-13(14)15/h2-10,18H,1H3