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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(3-methylphenoxy)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(3-methylphenoxy)ethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-8-nitroisoquinolin-5-amine Traditional Name: 2-(3-methylphenoxy)ethyl-(8-nitro-5-isoquinolyl)amine Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-13-3-2-4-14(11-13)24-10-9-20-17-5-6-18(21(22)23)16-12-19-8-7-15(16)17/h2-8,11-12,20H,9-10H2,1H3