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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(F)(F)F

InChI

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