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

Systemtic Name: (3R)-1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Openeye Name: (3R)-1-(4-ethoxycarbonylphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate CAS Name: (3R)-1-(4-ethoxycarbonylphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)-3-pyrrolidinecarboximidate IUPAC Name: (3R)-1-(4-ethoxycarbonylphenyl)-5-oxo-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Traditional Name: (3R)-1-(4-carbethoxyphenyl)-5-keto-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboximidate Formula: C16H16N5O4- MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4/c1-2-25-15(24)10-3-5-12(6-4-10)21-8-11(7-13(21)22)14(23)19-16-17-9-18-20-16/h3-6,9,11H,2,7-8H2,1H3,(H2,17,18,19,20,23)/p-1/t11-/m1/s1