[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C23H17N5O3 MolecularWeight: 411.41278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N5O3/c24-13-17-4-3-5-19(12-17)25-22(29)15-31-23(30)18-10-8-16(9-11-18)14-28-21-7-2-1-6-20(21)26-27-28/h1-12H,14-15H2,(H,25,29)