ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-ethoxy-2-oxidanylidene-ethyl)-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-ethoxy-2-oxo-ethyl)-1-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 5-(2-ethoxy-2-oxoethyl)-1-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-ethoxy-2-oxoethyl)-1-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-(2-ethoxy-2-keto-ethyl)-1-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(N=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H16N4O6/c1-3-24-13(20)9-12-14(15(21)25-4-2)16-17-18(12)10-5-7-11(8-6-10)19(22)23/h5-8H,3-4,9H2,1-2H3