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

Systemtic Name: methyl 2-[2-(4-chloranyl-3-nitro-phenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(4-chloro-3-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(4-chloro-3-nitrophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-3-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-chloro-3-nitro-benzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7/c1-29-18-9-12-6-7-23(16(11-20(25)31-3)14(12)10-19(18)30-2)21(26)13-4-5-15(22)17(8-13)24(27)28/h4-5,8-10,16H,6-7,11H2,1-3H3