4-nitrooxybutyl (2R)-6-chloranyl-7-(phenylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: 4-nitrooxybutyl (2R)-6-chloranyl-7-(phenylmethyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: 4-nitrooxybutyl (2R)-7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: (2R)-6-chloro-7-(phenylmethyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: (2R)-7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid 4-nitrooxybutyl ester Formula: C22H19ClF3NO6 MolecularWeight: 485.83757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C3C=C([C@@H](OC3=C2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClF3NO6/c23-18-12-16-11-17(21(28)31-8-4-5-9-32-27(29)30)20(22(24,25)26)33-19(16)13-15(18)10-14-6-2-1-3-7-14/h1-3,6-7,11-13,20H,4-5,8-10H2/t20-/m1/s1