butanoyl 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate

Systemtic Name: butanoyl 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate Openeye Name: butanoyl 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoic acid 1-oxobutyl ester IUPAC Name: butanoyl 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzoic acid butyryl ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C)C

Isomeric SMILES

CCCC(=O)OC(=O)C1=CC=C(C=C1)N2C(=NC(=N2)C)C

InChI

InChI=1S/C15H17N3O3/c1-4-5-14(19)21-15(20)12-6-8-13(9-7-12)18-11(3)16-10(2)17-18/h6-9H,4-5H2,1-3H3