[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H14ClF3N2O5 MolecularWeight: 430.76237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClF3N2O5/c1-9-7-11(3-6-15(9)24(27)28)17(26)29-10(2)16(25)23-14-8-12(18(20,21)22)4-5-13(14)19/h3-8,10H,1-2H3,(H,23,25)