methyl 3-[2-[3-[2-(benzotriazol-1-yl)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(benzotriazol-1-yl)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H18N4O3 MolecularWeight: 410.42472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C24H18N4O3/c1-31-24(30)19-8-4-6-17(14-19)12-13-18-7-5-9-20(15-18)25-23(29)16-28-22-11-3-2-10-21(22)26-27-28/h2-11,14-15H,16H2,1H3,(H,25,29)