methyl 2-[2-azanyl-3-cyano-5-ethanoyl-6-(trifluoromethyl)-4H-pyran-4-yl]benzoate

Systemtic Name: methyl 2-[2-azanyl-3-cyano-5-ethanoyl-6-(trifluoromethyl)-4H-pyran-4-yl]benzoate Openeye Name: methyl 2-[5-acetyl-2-amino-3-cyano-6-(trifluoromethyl)-4H-pyran-4-yl]benzoate CAS Name: 2-[5-acetyl-2-amino-3-cyano-6-(trifluoromethyl)-4H-pyran-4-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-acetyl-2-amino-3-cyano-6-(trifluoromethyl)-4H-pyran-4-yl]benzoate Traditional Name: 2-[5-acetyl-2-amino-3-cyano-6-(trifluoromethyl)-4H-pyran-4-yl]benzoic acid methyl ester Formula: C17H13F3N2O4 MolecularWeight: 366.29133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC(=C(C1C2=CC=CC=C2C(=O)OC)C#N)N)C(F)(F)F

Isomeric SMILES

CC(=O)C1=C(OC(=C(C1C2=CC=CC=C2C(=O)OC)C#N)N)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O4/c1-8(23)12-13(9-5-3-4-6-10(9)16(24)25-2)11(7-21)15(22)26-14(12)17(18,19)20/h3-6,13H,22H2,1-2H3