methyl 6-nitro-4-oxidanyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-4H-chromene-3-carboxylate

Systemtic Name: methyl 6-nitro-4-oxidanyl-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-4H-chromene-3-carboxylate Openeye Name: methyl 4-hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromene-3-carboxylate CAS Name: 4-hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromene-3-carboxylate Traditional Name: 4-hydroxy-6-nitro-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromene-3-carboxylic acid methyl ester Formula: C13H8F5NO6 MolecularWeight: 369.197736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1O)C=C(C=C2)[N+](=O)[O-])C(C(F)(F)F)(F)F

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1O)C=C(C=C2)[N+](=O)[O-])C(C(F)(F)F)(F)F

InChI

InChI=1S/C13H8F5NO6/c1-24-11(21)8-9(20)6-4-5(19(22)23)2-3-7(6)25-10(8)12(14,15)13(16,17)18/h2-4,9,20H,1H3