4-azido-5-cyano-2-(2-methylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-azido-5-cyano-2-(2-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 4-azido-5-cyano-2-(o-tolyl)pyrazole-3-carboxylic acid CAS Name: 4-azido-5-cyano-2-(2-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-azido-5-cyano-2-(2-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 4-azido-5-cyano-2-(o-tolyl)pyrazole-3-carboxylic acid Formula: C12H8N6O2 MolecularWeight: 268.23092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C#N)N=[N+]=[N-])C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C#N)N=[N+]=[N-])C(=O)O

InChI

InChI=1S/C12H8N6O2/c1-7-4-2-3-5-9(7)18-11(12(19)20)10(15-17-14)8(6-13)16-18/h2-5H,1H3,(H,19,20)