2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline

Systemtic Name: 2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline Openeye Name: 2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline CAS Name: 2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline IUPAC Name: 2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline Traditional Name: 2-(4-methoxyphenyl)-1-(nitromethyl)-1H-isoquinoline Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CC3=CC=CC=C3C2C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CC3=CC=CC=C3C2C[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3/c1-22-15-8-6-14(7-9-15)18-11-10-13-4-2-3-5-16(13)17(18)12-19(20)21/h2-11,17H,12H2,1H3