[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C43)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C43)N=N1

InChI

InChI=1S/C20H20N4O3/c1-3-24-18-9-8-15(12-16(18)21-22-24)20(26)27-13(2)19(25)23-11-10-14-6-4-5-7-17(14)23/h4-9,12-13H,3,10-11H2,1-2H3