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

Systemtic Name: methyl 4-[[2-(2-chloranyl-5-nitro-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(2-chloro-5-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(2-chloro-5-nitrophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(2-chloro-5-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C27H25ClN2O8 MolecularWeight: 540.949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H25ClN2O8/c1-35-24-12-17-10-11-29(26(31)21-13-18(30(33)34)6-9-22(21)28)23(20(17)14-25(24)36-2)15-38-19-7-4-16(5-8-19)27(32)37-3/h4-9,12-14,23H,10-11,15H2,1-3H3