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methyl 3-(5-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-4-chloranyl-benzoate

methyl 3-(5-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-4-chloranyl-benzoate

Systemtic Name:methyl 3-(5-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-4-chloranyl-benzoate
Openeye Name:methyl 3-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chloro-benzoate
CAS Name:3-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chlorobenzoic acid methyl ester
IUPAC Name:methyl 3-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chlorobenzoate
Traditional Name:3-(5-butyl-3-keto-1H-1,2,4-triazol-2-yl)-4-chloro-benzoic acid methyl ester
Formula: C14H16ClN3O3
MolecularWeight: 309.74814
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=C(C=CC(=C2)C(=O)OC)Cl


Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=C(C=CC(=C2)C(=O)OC)Cl


InChI

InChI=1S/C14H16ClN3O3/c1-3-4-5-12-16-14(20)18(17-12)11-8-9(13(19)21-2)6-7-10(11)15/h6-8H,3-5H2,1-2H3,(H,16,17,20)


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