methyl 2-[(1R)-2-(2-cyano-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-2-(2-cyano-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-2-(2-cyano-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-(2-cyano-4-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-2-(2-cyano-4-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-(2-cyano-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N)CC(=O)OC)OC

InChI

InChI=1S/C21H21N3O6/c1-28-19-9-13-6-7-23(17-5-4-15(24(26)27)8-14(17)12-22)18(11-21(25)30-3)16(13)10-20(19)29-2/h4-5,8-10,18H,6-7,11H2,1-3H3/t18-/m1/s1