ethyl 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-oxo-propanoate CAS Name: 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-oxopropanoate Traditional Name: 3-[2-tert-butyl-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-keto-propionic acid ethyl ester Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(=O)C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN3O3/c1-5-30-20(29)15-19(28)22-26(18-13-11-17(24)12-14-18)21(16-9-7-6-8-10-16)25-27(22)23(2,3)4/h6-14H,5,15H2,1-4H3/q+1