5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-8-nitro-isoquinoline

Systemtic Name: 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-8-nitro-isoquinoline Openeye Name: 5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-8-nitro-isoquinoline CAS Name: 5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-8-nitroisoquinoline IUPAC Name: 5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-8-nitroisoquinoline Traditional Name: 5-(2,2-dimethylcoumaran-7-yl)oxy-8-nitro-isoquinoline Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H16N2O4/c1-19(2)10-12-4-3-5-17(18(12)25-19)24-16-7-6-15(21(22)23)14-11-20-9-8-13(14)16/h3-9,11H,10H2,1-2H3