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

Systemtic Name: 2-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]ethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]ethyl ester IUPAC Name: 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]ethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]ethyl ester Formula: C20H15F3N2O6 MolecularWeight: 436.33811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F3N2O6/c1-24(15-7-6-13(20(21,22)23)11-16(15)25(28)29)8-9-30-18(26)14-10-12-4-2-3-5-17(12)31-19(14)27/h2-7,10-11H,8-9H2,1H3