2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(1,2,4-triazol-1-yl)ethyl ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C=NC=N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C=NC=N2

InChI

InChI=1S/C14H17N3O5/c1-19-11-6-10(7-12(20-2)13(11)21-3)14(18)22-5-4-17-9-15-8-16-17/h6-9H,4-5H2,1-3H3