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

Systemtic Name: [3-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] ester IUPAC Name: [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [3-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]butyl] ester Formula: C22H19F3N2O6 MolecularWeight: 464.39127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2O6/c1-21(2,26-16-8-7-14(22(23,24)25)12-17(16)27(30)31)9-10-32-19(28)15-11-13-5-3-4-6-18(13)33-20(15)29/h3-8,11-12,26H,9-10H2,1-2H3