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

Systemtic Name: ethyl 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)-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=CC(=C(C=C2C1C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

InChI

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