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

Systemtic Name: ethyl 4-[[2-(5-chloranyl-2-nitro-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-(5-chloro-2-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(5-chloro-2-nitrophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-chloro-2-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(5-chloro-2-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C28H27ClN2O8 MolecularWeight: 554.97558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C28H27ClN2O8/c1-4-38-28(33)17-5-8-20(9-6-17)39-16-24-21-15-26(37-3)25(36-2)13-18(21)11-12-30(24)27(32)22-14-19(29)7-10-23(22)31(34)35/h5-10,13-15,24H,4,11-12,16H2,1-3H3