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

Systemtic Name: methyl 2-(3-chloranyl-1-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)-3-methyl-benzoate Openeye Name: methyl 2-(3-chloro-1-methyl-5-oxo-1,2,4-triazol-4-yl)-3-methyl-benzoate CAS Name: 2-(3-chloro-1-methyl-5-oxo-1,2,4-triazol-4-yl)-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-1-methyl-5-oxo-1,2,4-triazol-4-yl)-3-methylbenzoate Traditional Name: 2-(3-chloro-5-keto-1-methyl-1,2,4-triazol-4-yl)-3-methyl-benzoic acid methyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2C(=NN(C2=O)C)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1N2C(=NN(C2=O)C)Cl)C(=O)OC

InChI

InChI=1S/C12H12ClN3O3/c1-7-5-4-6-8(10(17)19-3)9(7)16-11(13)14-15(2)12(16)18/h4-6H,1-3H3