ethyl 4-[2-oxidanylidene-4-(1H-1,2,4-triazol-5-ylcarbamoyl)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[2-oxidanylidene-4-(1H-1,2,4-triazol-5-ylcarbamoyl)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[2-oxo-4-(1H-1,2,4-triazol-5-ylcarbamoyl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2-oxo-4-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-4-(1H-1,2,4-triazol-5-ylcarbamoyl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2-keto-4-(1H-1,2,4-triazol-5-ylcarbamoyl)pyrrolidino]benzoic acid ethyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)