(3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 2-chloranylbenzoate

Systemtic Name: (3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 2-chloranylbenzoate Openeye Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) ester IUPAC Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid (3,5,5-trimethyl-1-oxido-1-pyrazolin-1-ium-3-yl) ester Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=CC=C2Cl)C

Isomeric SMILES

CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H15ClN2O3/c1-12(2)8-13(3,15-16(12)18)19-11(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3