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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propanoic 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]propanoate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H23F3N2O6 MolecularWeight: 492.44443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(C)NC3=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)C(C)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H23F3N2O6/c1-12(2)17-10-18-15(8-22(30)35-21(18)7-13(17)3)11-34-23(31)14(4)28-19-6-5-16(24(25,26)27)9-20(19)29(32)33/h5-10,12,14,28H,11H2,1-4H3