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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (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-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17F3N2O6 MolecularWeight: 450.36469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N2O6/c1-11-3-5-15-13(8-19(27)32-18(15)7-11)10-31-20(28)12(2)25-16-6-4-14(21(22,23)24)9-17(16)26(29)30/h3-9,12,25H,10H2,1-2H3