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

Systemtic Name: methyl 2-[(1R)-6,7-dimethoxy-2-(3-nitrophenyl)carbonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-6,7-dimethoxy-2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-6,7-dimethoxy-2-[(3-nitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-6,7-dimethoxy-2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-6,7-dimethoxy-2-(3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC(=O)OC)OC

InChI

InChI=1S/C21H22N2O7/c1-28-18-10-13-7-8-22(21(25)14-5-4-6-15(9-14)23(26)27)17(12-20(24)30-3)16(13)11-19(18)29-2/h4-6,9-11,17H,7-8,12H2,1-3H3/t17-/m1/s1