2-[5-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-(6-chloranyl-4-oxidanylidene-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazol-4-yl]acetic acid CAS Name: 2-[5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-methylpyrazol-4-yl]acetic acid Traditional Name: 2-[5-(6-chloro-4-keto-1,2,3-benzotriazin-3-yl)-1-methyl-pyrazol-4-yl]acetic acid Formula: C13H10ClN5O3 MolecularWeight: 319.7032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O3/c1-18-12(7(6-15-18)4-11(20)21)19-13(22)9-5-8(14)2-3-10(9)16-17-19/h2-3,5-6H,4H2,1H3,(H,20,21)