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

Systemtic Name: (3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) 4-nitrobenzoate Openeye Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) ester IUPAC Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,5,5-trimethyl-2-oxido-1-pyrazolin-2-ium-3-yl) ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O5/c1-12(2)8-13(3,16(20)14-12)21-11(17)9-4-6-10(7-5-9)15(18)19/h4-7H,8H2,1-3H3