[3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-keto-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H14F3NO7 MolecularWeight: 485.36567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C24H14F3NO7/c1-33-18-5-3-2-4-16(18)20-21(29)17-11-10-15(12-19(17)35-22(20)24(25,26)27)34-23(30)13-6-8-14(9-7-13)28(31)32/h2-12H,1H3