[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H18ClF3N2O7 MolecularWeight: 490.81433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18ClF3N2O7/c1-10(2)33-18-13(21)6-11(7-16(18)31-3)19(28)32-9-17(27)25-14-5-4-12(20(22,23)24)8-15(14)26(29)30/h4-8,10H,9H2,1-3H3,(H,25,27)