[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C18H14F3N5O5 MolecularWeight: 437.32947

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])N=N1

InChI

InChI=1S/C18H14F3N5O5/c1-2-25-14-6-3-10(7-13(14)23-24-25)17(28)31-9-16(27)22-12-5-4-11(18(19,20)21)8-15(12)26(29)30/h3-8H,2,9H2,1H3,(H,22,27)