1-(cyanomethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(cyanomethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(cyanomethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate CAS Name: 1-(cyanomethyl)-5-[(4-methoxyanilino)-oxomethyl]-3-(4-methoxyphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(cyanomethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(cyanomethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC#N)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC#N)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C19H17N5O4/c1-27-15-7-3-13(4-8-15)21-18(25)17-19(26)24(22-23(17)12-11-20)14-5-9-16(28-2)10-6-14/h3-10H,12H2,1-2H3,(H-,21,22,25,26)