(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H18ClN5O3 MolecularWeight: 375.80952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

InChI

InChI=1S/C17H18ClN5O3/c1-3-4-9-22-15(18)14(11(2)20-22)17(25)26-10-23-16(24)12-7-5-6-8-13(12)19-21-23/h5-8H,3-4,9-10H2,1-2H3