ethyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitro-benzoate CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitrobenzoate Traditional Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitro-benzoic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-4-30-21(25)15-7-14(8-17(9-15)23(26)27)20(24)22-6-5-13-10-18(28-2)19(29-3)11-16(13)12-22/h7-11H,4-6,12H2,1-3H3