N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: homoveratryl-(8-nitro-5-isoquinolyl)amine Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O4/c1-25-18-6-3-13(11-19(18)26-2)7-10-21-16-4-5-17(22(23)24)15-12-20-9-8-14(15)16/h3-6,8-9,11-12,21H,7,10H2,1-2H3