ethyl 2-methyl-5-(3-oxidanylpropyl)-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(3-oxidanylpropyl)-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate CAS Name: 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate Traditional Name: 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylic acid ethyl ester Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)CCCO)C2=NC=NN2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)CCCO)C2=NC=NN2)C

InChI

InChI=1S/C13H18N4O3/c1-3-20-12(19)11-7-10(5-4-6-18)17(9(11)2)13-14-8-15-16-13/h7-8,18H,3-6H2,1-2H3,(H,14,15,16)