[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CN3C=NC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CN3C=NC=N3

InChI

InChI=1S/C13H12N4O5/c18-12(5-20-13(19)4-17-7-14-6-15-17)16-9-1-2-10-11(3-9)22-8-21-10/h1-3,6-7H,4-5,8H2,(H,16,18)