ethyl 3-[4-oxidanylidene-3-phenyl-5-(phenylcarbamoyl)-2H-1,2,3-triazol-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[4-oxidanylidene-3-phenyl-5-(phenylcarbamoyl)-2H-1,2,3-triazol-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[4-oxo-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]propanoate CAS Name: 3-[5-[anilino(oxo)methyl]-4-oxo-3-phenyl-2H-triazol-1-ium-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-oxo-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]propanoate Traditional Name: 3-[4-keto-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]propionic acid ethyl ester Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC[N+]1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)NC3=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)/p+1