methyl (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: methyl (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1S)-6,7-dimethoxy-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-25-16-10-12-8-9-20(19(22)27-3)18(14(12)11-17(16)26-2)13-6-4-5-7-15(13)21(23)24/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m1/s1