2-[(2,4-dimethoxyphenyl)methyl]-4,4-bis(fluoranyl)-7-nitro-isoquinoline-1,3-dione

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methyl]-4,4-bis(fluoranyl)-7-nitro-isoquinoline-1,3-dione Openeye Name: 2-[(2,4-dimethoxyphenyl)methyl]-4,4-difluoro-7-nitro-isoquinoline-1,3-dione CAS Name: 2-[(2,4-dimethoxyphenyl)methyl]-4,4-difluoro-7-nitroisoquinoline-1,3-dione IUPAC Name: 2-[(2,4-dimethoxyphenyl)methyl]-4,4-difluoro-7-nitroisoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethoxybenzyl)-4,4-difluoro-7-nitro-isoquinoline-1,3-quinone Formula: C18H14F2N2O6 MolecularWeight: 392.310366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(C2=O)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(C2=O)(F)F)OC

InChI

InChI=1S/C18H14F2N2O6/c1-27-12-5-3-10(15(8-12)28-2)9-21-16(23)13-7-11(22(25)26)4-6-14(13)18(19,20)17(21)24/h3-8H,9H2,1-2H3