[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H10ClF3N2O5 MolecularWeight: 402.70921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O5/c17-10-3-1-2-9(6-10)15(24)27-8-14(23)21-13-5-4-11(22(25)26)7-12(13)16(18,19)20/h1-7H,8H2,(H,21,23)