N-[3-nitro-2-oxidanyl-4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]ethanamide

Systemtic Name: N-[3-nitro-2-oxidanyl-4-oxidanylidene-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]ethanamide Openeye Name: N-[2-hydroxy-3-nitro-4-oxo-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]acetamide CAS Name: N-[2-hydroxy-3-nitro-4-oxo-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]acetamide IUPAC Name: N-[2-hydroxy-3-nitro-4-oxo-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]acetamide Traditional Name: N-[2-hydroxy-4-keto-3-nitro-5,7-bis(trifluoromethyl)-1H-quinolin-6-yl]acetamide Formula: C13H7F6N3O5 MolecularWeight: 399.202199

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1C(F)(F)F)NC(=C(C2=O)[N+](=O)[O-])O)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1C(F)(F)F)NC(=C(C2=O)[N+](=O)[O-])O)C(F)(F)F

InChI

InChI=1S/C13H7F6N3O5/c1-3(23)20-8-4(12(14,15)16)2-5-6(7(8)13(17,18)19)10(24)9(22(26)27)11(25)21-5/h2H,1H3,(H,20,23)(H2,21,24,25)