(3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3S)-1-(2-furylmethyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3S)-1-(furan-2-ylmethyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C12H12N5O3- MolecularWeight: 274.25538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CO2)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CO2)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C12H13N5O3/c18-10-4-8(11(19)15-12-13-7-14-16-12)5-17(10)6-9-2-1-3-20-9/h1-3,7-8H,4-6H2,(H2,13,14,15,16,19)/p-1/t8-/m0/s1