[8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [8-methyl-3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Openeye Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [8-methyl-3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-keto-8-methyl-3-(4-nitrophenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H13F3N2O9 MolecularWeight: 530.36323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H13F3N2O9/c1-12-18(37-23(31)13-2-4-14(5-3-13)28(32)33)11-10-17-19(30)21(22(24(25,26)27)38-20(12)17)36-16-8-6-15(7-9-16)29(34)35/h2-11H,1H3