[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(4-butoxycarbonylanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-butoxycarbonylanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(4-butoxycarbonylanilino)-2-keto-ethyl] ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N(N=N3)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N(N=N3)CC

InChI

InChI=1S/C22H24N4O5/c1-3-5-12-30-21(28)15-6-9-17(10-7-15)23-20(27)14-31-22(29)16-8-11-19-18(13-16)24-25-26(19)4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,27)