(3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-(4-ethoxyphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-5-keto-1-p-phenetyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C15H16N5O3- MolecularWeight: 314.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H17N5O3/c1-2-23-12-5-3-11(4-6-12)20-8-10(7-13(20)21)14(22)18-15-16-9-17-19-15/h3-6,9-10H,2,7-8H2,1H3,(H2,16,17,18,19,22)/p-1/t10-/m1/s1