[1-(bromomethyl)-6,7-dimethoxy-4-nitro-isoquinolin-3-yl] ethanoate

Systemtic Name: [1-(bromomethyl)-6,7-dimethoxy-4-nitro-isoquinolin-3-yl] ethanoate Openeye Name: [1-(bromomethyl)-6,7-dimethoxy-4-nitro-3-isoquinolyl] acetate CAS Name: acetic acid [1-(bromomethyl)-6,7-dimethoxy-4-nitro-3-isoquinolinyl] ester IUPAC Name: [1-(bromomethyl)-6,7-dimethoxy-4-nitroisoquinolin-3-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-6,7-dimethoxy-4-nitro-3-isoquinolyl] ester Formula: C14H13BrN2O6 MolecularWeight: 385.16682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC(=C(C=C2C(=N1)CBr)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C2=CC(=C(C=C2C(=N1)CBr)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O6/c1-7(18)23-14-13(17(19)20)9-5-12(22-3)11(21-2)4-8(9)10(6-15)16-14/h4-5H,6H2,1-3H3