2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(2-chloro-6-fluoro-benzyl)-methyl-amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H13ClFN3O4 MolecularWeight: 377.754223

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClFN3O4/c1-20(8-13-14(18)3-2-4-15(13)19)9-21-16(23)11-6-5-10(22(25)26)7-12(11)17(21)24/h2-7H,8-9H2,1H3