5-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(6-chloro-4-keto-1,2,3-benzotriazin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C17H10ClN5O3 MolecularWeight: 367.746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C(=O)C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C(=O)C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C17H10ClN5O3/c18-10-6-7-14-12(8-10)16(24)23(21-20-14)15-13(17(25)26)9-19-22(15)11-4-2-1-3-5-11/h1-9H,(H,25,26)