[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H11F3N2O6 MolecularWeight: 384.26355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C16H11F3N2O6/c17-16(18,19)12-7-10(21(25)26)3-6-13(12)20-14(23)8-27-15(24)9-1-4-11(22)5-2-9/h1-7,22H,8H2,(H,20,23)