ethyl 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1C3=CC(=C(C=C3)OC)OC)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1C3=CC(=C(C=C3)OC)OC)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-28-20(23)21-10-9-13-5-7-15(22(24)25)12-16(13)19(21)14-6-8-17(26-2)18(11-14)27-3/h5-8,11-12,19H,4,9-10H2,1-3H3