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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])OC)C(=O)C=C)OC

Isomeric SMILES

COC1=C(C=C2CN(C(CC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])OC)C(=O)C=C)OC

InChI

InChI=1S/C21H22N2O6/c1-5-21(24)22-12-15-11-20(29-4)19(28-3)10-14(15)8-17(22)13-6-7-16(23(25)26)18(9-13)27-2/h5-7,9-11,17H,1,8,12H2,2-4H3