3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-[diazanyl(oxidanylidene)azaniumyl]phenyl]-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-[diazanyl(oxidanylidene)azaniumyl]phenyl]-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[hydrazino(oxo)ammonio]phenyl]-4-hydroxy-4-oxo-butanoate CAS Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[hydrazinyl(oxo)ammonio]phenyl]-4-hydroxy-4-oxobutanoate IUPAC Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[hydrazinyl(oxo)azaniumyl]phenyl]-4-hydroxy-4-oxobutanoate Traditional Name: 3-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[hydrazino(keto)ammonio]phenyl]-4-hydroxy-4-keto-butyrate Formula: C17H13ClF3N3O6 MolecularWeight: 447.74983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)NN)C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)NN)C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C17H13ClF3N3O6/c18-12-5-8(17(19,20)21)1-4-14(12)30-9-2-3-13(24(29)23-22)10(6-9)11(16(27)28)7-15(25)26/h1-6,11H,7,22H2,(H2-,23,25,26,27,28,29)