6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-2H-isoquinolin-3-one

Systemtic Name: 6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-2H-isoquinolin-3-one Openeye Name: 6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-2H-isoquinolin-3-one CAS Name: 6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-2H-isoquinolin-3-one IUPAC Name: 6,7-dimethoxy-1-[(4-nitrophenyl)methyl]-2H-isoquinolin-3-one Traditional Name: 6,7-dimethoxy-1-(4-nitrobenzyl)-3-isoquinolone Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=O)NC(=C2C=C1OC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=CC(=O)NC(=C2C=C1OC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-24-16-8-12-9-18(21)19-15(14(12)10-17(16)25-2)7-11-3-5-13(6-4-11)20(22)23/h3-6,8-10H,7H2,1-2H3,(H,19,21)