methyl (1S,3S)-6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(CC2=C1)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N[C@@H](CC2=C1)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O6/c1-25-16-9-12-8-15(19(22)27-3)20-18(14(12)10-17(16)26-2)11-4-6-13(7-5-11)21(23)24/h4-7,9-10,15,18,20H,8H2,1-3H3/t15-,18-/m0/s1