(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C)Cl

InChI

InChI=1S/C20H16ClN5O3/c1-12-18(21)13(2)26(23-12)15-9-7-14(8-10-15)20(28)29-11-25-19(27)16-5-3-4-6-17(16)22-24-25/h3-10H,11H2,1-2H3