2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-3H-isoindol-1-one

Systemtic Name: 2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]-3H-isoindol-1-one Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]isoindolin-1-one CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-3H-isoindol-1-one IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]-3H-isoindol-1-one Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]isoindolin-1-one Formula: C21H13ClF3N3O4 MolecularWeight: 463.79383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1NC3=C(C=CC(=C3)OC4=C(C=C(C=C4)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1NC3=C(C=CC(=C3)OC4=C(C=C(C=C4)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClF3N3O4/c22-16-9-13(21(23,24)25)5-8-19(16)32-14-6-7-18(28(30)31)17(10-14)26-27-11-12-3-1-2-4-15(12)20(27)29/h1-10,26H,11H2