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

Systemtic Name: 1-[6,7-dimethoxy-3-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Openeye Name: 1-[6,7-dimethoxy-3-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one CAS Name: 1-[6,7-dimethoxy-3-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-propen-1-one IUPAC Name: 1-[6,7-dimethoxy-3-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Traditional Name: 1-[6,7-dimethoxy-3-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-4-20(23)21-12-15-11-19(27-3)18(26-2)10-14(15)9-17(21)13-6-5-7-16(8-13)22(24)25/h4-8,10-11,17H,1,9,12H2,2-3H3