(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-4-nitro-phenyl)prop-2-en-1-one Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C=CC3=CC(=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)/C=C/C3=CC(=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H22N2O6/c1-27-18-10-14(4-6-17(18)23(25)26)5-7-21(24)22-9-8-15-11-19(28-2)20(29-3)12-16(15)13-22/h4-7,10-12H,8-9,13H2,1-3H3/b7-5+