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

Systemtic Name: 5-ethoxycarbonyl-3-(4-methyl-2-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethoxycarbonyl-3-(4-methyl-2-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 5-ethoxycarbonyl-3-(4-methyl-2-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-3-(4-methyl-2-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-carbethoxy-3-(4-methyl-2-nitro-phenyl)triazole-4-carboxylic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O6/c1-3-23-13(20)10-11(12(18)19)16(15-14-10)8-5-4-7(2)6-9(8)17(21)22/h4-6H,3H2,1-2H3,(H,18,19)