3-(4-chloranyl-2-nitro-phenyl)-5-ethoxycarbonyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)-5-ethoxycarbonyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 3-(4-chloro-2-nitro-phenyl)-5-ethoxycarbonyl-triazole-4-carboxylic acid CAS Name: 3-(4-chloro-2-nitrophenyl)-5-ethoxycarbonyl-4-triazolecarboxylic acid IUPAC Name: 3-(4-chloro-2-nitrophenyl)-5-ethoxycarbonyltriazole-4-carboxylic acid Traditional Name: 5-carbethoxy-3-(4-chloro-2-nitro-phenyl)triazole-4-carboxylic acid Formula: C12H9ClN4O6 MolecularWeight: 340.67606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9ClN4O6/c1-2-23-12(20)9-10(11(18)19)16(15-14-9)7-4-3-6(13)5-8(7)17(21)22/h3-5H,2H2,1H3,(H,18,19)