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

Systemtic Name: 3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-6-(trifluoromethyl)indazol-1-ium-2-yl]propanamide Openeye Name: 3-[3-(4-methylbenzoyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-2-yl]propanamide CAS Name: 3-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-6-(trifluoromethyl)-2-indazol-1-iumyl]propanamide IUPAC Name: 3-[3-(4-methylbenzoyl)-1-oxido-6-(trifluoromethyl)indazol-1-ium-2-yl]propanamide Traditional Name: 3-[1-oxido-3-p-toluoyl-6-(trifluoromethyl)indazol-1-ium-2-yl]propionamide Formula: C19H16F3N3O3 MolecularWeight: 391.34385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC(=O)N)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC(=O)N)[O-])C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3/c1-11-2-4-12(5-3-11)18(27)17-14-7-6-13(19(20,21)22)10-15(14)25(28)24(17)9-8-16(23)26/h2-7,10H,8-9H2,1H3,(H2,23,26)