N-methyl-N-[2-(3-methylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: methyl-[2-(3-methylphenoxy)ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-14-4-3-5-15(12-14)25-11-10-21(2)18-6-7-19(22(23)24)17-13-20-9-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3