ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(1H-1,2,4-triazol-5-ylamino)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(1H-1,2,4-triazol-5-ylamino)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(1H-1,2,4-triazol-5-ylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC=NN2)C

InChI

InChI=1S/C13H17N5O3/c1-4-21-12(20)10-5-8(2)18(9(10)3)6-11(19)16-13-14-7-15-17-13/h5,7H,4,6H2,1-3H3,(H2,14,15,16,17,19)