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

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H20FN5O4 MolecularWeight: 413.402303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=C(C=C3)F)N=N1

InChI

InChI=1S/C20H20FN5O4/c1-3-26-17-9-4-13(10-16(17)23-24-26)20(29)30-12-19(28)25(2)11-18(27)22-15-7-5-14(21)6-8-15/h4-10H,3,11-12H2,1-2H3,(H,22,27)