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

Systemtic Name: methyl 3-(5-tert-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-4-chloranyl-benzoate Openeye Name: methyl 3-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chloro-benzoate CAS Name: 3-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-4-chlorobenzoate Traditional Name: 3-(5-tert-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:

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C14H16ClN3O3/c1-14(2,3)12-16-13(20)18(17-12)10-7-8(11(19)21-4)5-6-9(10)15/h5-7H,1-4H3,(H,16,17,20)