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3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanoic acid

3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanoic acid

Systemtic Name:3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanoic acid
Openeye Name:3-[3-(4-methylbenzoyl)-1-oxido-indazol-1-ium-2-yl]propanoic acid
CAS Name:3-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]propanoic acid
IUPAC Name:3-[3-(4-methylbenzoyl)-1-oxidoindazol-1-ium-2-yl]propanoic acid
Traditional Name:3-(1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)propionic acid
Formula: C18H16N2O4
MolecularWeight: 324.33064
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H16N2O4/c1-12-6-8-13(9-7-12)18(23)17-14-4-2-3-5-15(14)20(24)19(17)11-10-16(21)22/h2-9H,10-11H2,1H3,(H,21,22)


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