[3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-(4-ethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [3-(4-ethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15ClF3NO7 MolecularWeight: 533.83731

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C25H15ClF3NO7/c1-2-13-3-6-15(7-4-13)35-22-21(31)17-9-8-16(12-20(17)37-23(22)25(27,28)29)36-24(32)18-11-14(30(33)34)5-10-19(18)26/h3-12H,2H2,1H3