N-[4-(butylamino)-7-nitro-3-oxidanyl-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide

Systemtic Name: N-[4-(butylamino)-7-nitro-3-oxidanyl-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-6-yl]-N-methyl-ethanamide Openeye Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-bis(trifluoromethyl)chroman-6-yl]-N-methyl-acetamide CAS Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-N-methylacetamide IUPAC Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-bis(trifluoromethyl)-3,4-dihydrochromen-6-yl]-N-methylacetamide Traditional Name: N-[4-(butylamino)-3-hydroxy-7-nitro-2,2-bis(trifluoromethyl)chroman-6-yl]-N-methyl-acetamide Formula: C18H21F6N3O5 MolecularWeight: 473.366859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

CCCCNC1C(C(OC2=CC(=C(C=C12)N(C)C(=O)C)[N+](=O)[O-])(C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C18H21F6N3O5/c1-4-5-6-25-14-10-7-11(26(3)9(2)28)12(27(30)31)8-13(10)32-16(15(14)29,17(19,20)21)18(22,23)24/h7-8,14-15,25,29H,4-6H2,1-3H3