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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]propanoate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-methoxy-chromen-4-yl)methyl ester Formula: C21H17F3N2O7 MolecularWeight: 466.36409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N2O7/c1-11(25-16-6-3-13(21(22,23)24)8-17(16)26(29)30)20(28)32-10-12-7-19(27)33-18-9-14(31-2)4-5-15(12)18/h3-9,11,25H,10H2,1-2H3