(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21F3N2O6 MolecularWeight: 478.41785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C23H21F3N2O6/c1-12(2)16-9-17-14(7-21(29)34-20(17)6-13(16)3)11-33-22(30)10-27-18-5-4-15(23(24,25)26)8-19(18)28(31)32/h4-9,12,27H,10-11H2,1-3H3