ethyl 5-oxidanylidene-3-phenacyl-1-[(E)-(phenylmethylidene)amino]-2H-1,2,3-triazol-3-ium-4-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-3-phenacyl-1-[(E)-(phenylmethylidene)amino]-2H-1,2,3-triazol-3-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-benzylideneamino]-5-oxo-3-phenacyl-2H-triazol-3-ium-4-carboxylate CAS Name: 5-oxo-3-phenacyl-1-[(E)-(phenylmethylene)amino]-2H-triazol-3-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-benzylideneamino]-5-oxo-3-phenacyl-2H-triazol-3-ium-4-carboxylate Traditional Name: 1-[(E)-benzalamino]-5-keto-3-phenacyl-2H-triazol-3-ium-4-carboxylic acid ethyl ester Formula: C20H19N4O4+ MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](NN(C1=O)N=CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=[N+](NN(C1=O)/N=C/C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4/c1-2-28-20(27)18-19(26)24(21-13-15-9-5-3-6-10-15)22-23(18)14-17(25)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3/p+1/b21-13+