(2-azanyl-2-oxidanylidene-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H11F3N2O5S MolecularWeight: 400.32915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N2O5S/c17-16(18,19)9-5-6-13(11(7-9)21(24)25)27-12-4-2-1-3-10(12)15(23)26-8-14(20)22/h1-7H,8H2,(H2,20,22)