[2-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [2-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] ester IUPAC Name: [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [2-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl] ester Formula: C21H17F3N2O6 MolecularWeight: 450.36469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC2=CC=CC=C2OC1=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(COC(=O)C1=CC2=CC=CC=C2OC1=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N2O6/c1-20(2,25-15-8-7-13(21(22,23)24)10-16(15)26(29)30)11-31-18(27)14-9-12-5-3-4-6-17(12)32-19(14)28/h3-10,25H,11H2,1-2H3