[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C16H10ClF3N2O5 MolecularWeight: 402.70921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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