ethyl 4-[2-(3-cyano-1,2,4-triazol-4-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(3-cyano-1,2,4-triazol-4-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(3-cyano-1,2,4-triazol-4-yl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H15N5O3 MolecularWeight: 301.3006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C=NN=C2C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C=NN=C2C#N)C)C

InChI

InChI=1S/C14H15N5O3/c1-4-22-14(21)13-9(3)17-8(2)12(13)10(20)6-19-7-16-18-11(19)5-15/h7,17H,4,6H2,1-3H3