[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC4=CC=CC=C43)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC4=CC=CC=C43)N=N1

InChI

InChI=1S/C22H20N4O3/c1-3-26-20-12-11-16(13-19(20)24-25-26)22(28)29-14(2)21(27)23-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,3H2,1-2H3,(H,23,27)