5-(3,5-dimethylphenoxy)-8-nitro-isoquinoline

Systemtic Name: 5-(3,5-dimethylphenoxy)-8-nitro-isoquinoline Openeye Name: 5-(3,5-dimethylphenoxy)-8-nitro-isoquinoline CAS Name: 5-(3,5-dimethylphenoxy)-8-nitroisoquinoline IUPAC Name: 5-(3,5-dimethylphenoxy)-8-nitroisoquinoline Traditional Name: 5-(3,5-dimethylphenoxy)-8-nitro-isoquinoline Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O3/c1-11-7-12(2)9-13(8-11)22-17-4-3-16(19(20)21)15-10-18-6-5-14(15)17/h3-10H,1-2H3