methyl 2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)OC

InChI

InChI=1S/C17H15N3O5/c1-11-15(17(22)23-2)7-14(25-11)8-24-16(21)12-3-5-13(6-4-12)20-10-18-9-19-20/h3-7,9-10H,8H2,1-2H3