N-butyl-8-nitro-isoquinolin-5-amine

Systemtic Name: N-butyl-8-nitro-isoquinolin-5-amine Openeye Name: N-butyl-8-nitro-isoquinolin-5-amine CAS Name: N-butyl-8-nitro-5-isoquinolinamine IUPAC Name: N-butyl-8-nitroisoquinolin-5-amine Traditional Name: butyl-(8-nitro-5-isoquinolyl)amine Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2/c1-2-3-7-15-12-4-5-13(16(17)18)11-9-14-8-6-10(11)12/h4-6,8-9,15H,2-3,7H2,1H3