[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H14N4O4/c21-15(18-8-14-2-1-7-23-14)9-24-16(22)12-3-5-13(6-4-12)20-11-17-10-19-20/h1-7,10-11H,8-9H2,(H,18,21)