4-(4-diazonio-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate

Systemtic Name: 4-(4-diazonio-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzoate Openeye Name: 4-(4-diazonio-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate CAS Name: 4-(4-diazonio-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate IUPAC Name: 4-(4-diazonio-5-methyl-3-oxo-1H-pyrazol-2-yl)benzoate Traditional Name: 4-(4-diazonio-5-keto-3-methyl-3-pyrazolin-1-yl)benzoate Formula: C11H8N4O3 MolecularWeight: 244.20622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O3/c1-6-9(13-12)10(16)15(14-6)8-4-2-7(3-5-8)11(17)18/h2-5H,1H3,(H-,14,16,17,18)