4-nitrooxybutyl (2S)-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: 4-nitrooxybutyl (2S)-6-chloranyl-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: 4-nitrooxybutyl (2S)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: (2S)-6-chloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: (2S)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid 4-nitrooxybutyl ester Formula: C15H13ClF3NO6 MolecularWeight: 395.71503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(C(O2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C([C@H](O2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C15H13ClF3NO6/c16-10-3-4-12-9(7-10)8-11(13(26-12)15(17,18)19)14(21)24-5-1-2-6-25-20(22)23/h3-4,7-8,13H,1-2,5-6H2/t13-/m0/s1