3-(1,2,4-triazol-1-yl)butyl 3-chloranylbenzoate

Systemtic Name: 3-(1,2,4-triazol-1-yl)butyl 3-chloranylbenzoate Openeye Name: 3-(1,2,4-triazol-1-yl)butyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 3-(1,2,4-triazol-1-yl)butyl ester IUPAC Name: 3-(1,2,4-triazol-1-yl)butyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 3-(1,2,4-triazol-1-yl)butyl ester Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC(=CC=C1)Cl)N2C=NC=N2

Isomeric SMILES

CC(CCOC(=O)C1=CC(=CC=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C13H14ClN3O2/c1-10(17-9-15-8-16-17)5-6-19-13(18)11-3-2-4-12(14)7-11/h2-4,7-10H,5-6H2,1H3