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

Systemtic Name: [2-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-4-nitro-phenyl] ethanoate Openeye Name: [2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-4-nitro-phenyl] acetate CAS Name: acetic acid [2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-4-nitrophenyl] ester IUPAC Name: [2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-4-nitrophenyl] acetate Traditional Name: acetic acid [2-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-4-nitro-phenyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)[N+](=O)[O-])OC(=O)C)OC)OC

InChI

InChI=1S/C21H22N2O7/c1-12(24)22-8-7-14-9-19(28-3)20(29-4)11-16(14)21(22)17-10-15(23(26)27)5-6-18(17)30-13(2)25/h5-6,9-11,21H,7-8H2,1-4H3