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

Systemtic Name: 5-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(6-chloro-4-keto-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H8ClN5O3 MolecularWeight: 305.67662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)N2C(=O)C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)N2C(=O)C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C12H8ClN5O3/c1-17-10(8(5-14-17)12(20)21)18-11(19)7-4-6(13)2-3-9(7)15-16-18/h2-5H,1H3,(H,20,21)