4-[3-(4-methoxyphenyl)carbonyl-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-2-yl]butanamide

Systemtic Name: 4-[3-(4-methoxyphenyl)carbonyl-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-2-yl]butanamide Openeye Name: 4-[3-(4-methoxybenzoyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-2-yl]butanamide CAS Name: 4-[3-[(4-methoxyphenyl)-oxomethyl]-1-oxido-6-(trifluoromethyl)-2-indazol-1-iumyl]butanamide IUPAC Name: 4-[3-(4-methoxybenzoyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-2-yl]butanamide Traditional Name: 4-[1-oxido-3-p-anisoyl-6-(trifluoromethyl)indazol-1-ium-2-yl]butyramide Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCCC(=O)N)[O-])C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4/c1-30-14-7-4-12(5-8-14)19(28)18-15-9-6-13(20(21,22)23)11-16(15)26(29)25(18)10-2-3-17(24)27/h4-9,11H,2-3,10H2,1H3,(H2,24,27)