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

Systemtic Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate CAS Name: 1-(2-cyanoethyl)-5-[(3-methoxyanilino)-oxomethyl]-3-(3-methoxyphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(2-cyanoethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-28-16-8-3-6-14(12-16)22-19(26)18-20(27)25(23-24(18)11-5-10-21)15-7-4-9-17(13-15)29-2/h3-4,6-9,12-13H,5,11H2,1-2H3,(H-,22,23,26,27)