2-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H16FN3O5 MolecularWeight: 373.335143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O5/c1-20(9-11-6-7-15(27-2)13(19)8-11)10-21-17(23)12-4-3-5-14(22(25)26)16(12)18(21)24/h3-8H,9-10H2,1-2H3