1-[2,6-bis(chloranyl)-4-nitro-phenyl]-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2,6-bis(chloranyl)-4-nitro-phenyl]-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,6-dichloro-4-nitro-phenyl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(2,6-dichloro-4-nitrophenyl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(2,6-dichloro-4-nitrophenyl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(2,6-dichloro-4-nitro-phenyl)-5-ethyl-triazole-4-carboxylic acid Formula: C11H8Cl2N4O4 MolecularWeight: 331.11162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C11H8Cl2N4O4/c1-2-8-9(11(18)19)14-15-16(8)10-6(12)3-5(17(20)21)4-7(10)13/h3-4H,2H2,1H3,(H,18,19)