methyl 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H15N3O5/c1-23-17(22)14-6-7-24-15(14)9-25-16(21)13-4-2-12(3-5-13)8-20-11-18-10-19-20/h2-7,10-11H,8-9H2,1H3