1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one

Systemtic Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Openeye Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one CAS Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Traditional Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O5/c1-4-19(23)21-9-8-13-11-17(26-2)18(27-3)12-16(13)20(21)14-6-5-7-15(10-14)22(24)25/h5-7,10-12,20H,4,8-9H2,1-3H3