1-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(3-ethoxy-3-oxo-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(3-ethoxy-3-oxopropyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(3-ethoxy-3-oxopropyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(3-ethoxy-3-keto-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-2-28-17(25)13-14-23-18(19(26)21-15-9-5-3-6-10-15)20(27)24(22-23)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H-,21,22,26,27)