2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanoate

Systemtic Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanoate Openeye Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetate CAS Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetate IUPAC Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetate Traditional Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]acetate Formula: C13H11N4O2- MolecularWeight: 255.25204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CC(=O)[O-]

InChI

InChI=1S/C13H12N4O2/c18-13(19)4-10-5-15-12-2-1-9(3-11(10)12)6-17-8-14-7-16-17/h1-3,5,7-8,15H,4,6H2,(H,18,19)/p-1