1-(2-oxidanylidenepropyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(2-oxidanylidenepropyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-acetonyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(2-oxopropyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(2-oxopropyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-acetonyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=NN(C(=C1C(=O)NC2=CC=CC=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)C[N+]1=NN(C(=C1C(=O)NC2=CC=CC=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3/c1-13(23)12-21-16(17(24)19-14-8-4-2-5-9-14)18(25)22(20-21)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H-,19,20,24,25)