[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinolin-8-ylethanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-(8-quinolyl)acetate CAS Name: 2-(8-quinolinyl)acetic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 2-quinolin-8-ylacetate Traditional Name: 2-(8-quinolyl)acetic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H14F3N3O5 MolecularWeight: 433.33747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CC(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CC(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C20H14F3N3O5/c21-20(22,23)14-6-7-15(16(10-14)26(29)30)25-17(27)11-31-18(28)9-13-4-1-3-12-5-2-8-24-19(12)13/h1-8,10H,9,11H2,(H,25,27)