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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H8F3NO6 MolecularWeight: 379.24373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C17H8F3NO6/c18-17(19,20)13-8-15(22)27-14-7-11(4-5-12(13)14)26-16(23)9-2-1-3-10(6-9)21(24)25/h1-8H