[6,7-dimethoxy-1-(4-nitrophenyl)isoquinolin-3-yl]methyl ethanoate

Systemtic Name: [6,7-dimethoxy-1-(4-nitrophenyl)isoquinolin-3-yl]methyl ethanoate Openeye Name: [6,7-dimethoxy-1-(4-nitrophenyl)-3-isoquinolyl]methyl acetate CAS Name: acetic acid [6,7-dimethoxy-1-(4-nitrophenyl)-3-isoquinolinyl]methyl ester IUPAC Name: [6,7-dimethoxy-1-(4-nitrophenyl)isoquinolin-3-yl]methyl acetate Traditional Name: acetic acid [6,7-dimethoxy-1-(4-nitrophenyl)-3-isoquinolyl]methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)OCC1=CC2=CC(=C(C=C2C(=N1)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18N2O6/c1-12(23)28-11-15-8-14-9-18(26-2)19(27-3)10-17(14)20(21-15)13-4-6-16(7-5-13)22(24)25/h4-10H,11H2,1-3H3