ethyl 3-oxidanylidene-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propanoate Openeye Name: ethyl 3-oxo-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propanoate CAS Name: 3-oxo-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propanoate Traditional Name: 3-keto-3-[3-(1H-1,2,4-triazol-4-ium-4-yl)phenyl]propionic acid ethyl ester Formula: C13H14N3O3+ MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC(=CC=C1)[N+]2=CNN=C2

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC(=CC=C1)[N+]2=CNN=C2

InChI

InChI=1S/C13H13N3O3/c1-2-19-13(18)7-12(17)10-4-3-5-11(6-10)16-8-14-15-9-16/h3-6,8-9H,2,7H2,1H3/p+1