5-ethoxycarbonyl-3-(2-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-3-(2-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethoxycarbonyl-3-(2-nitrophenyl)triazole-4-carboxylic acid CAS Name: 5-ethoxycarbonyl-3-(2-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-3-(2-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 5-carbethoxy-3-(2-nitrophenyl)triazole-4-carboxylic acid Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O6/c1-2-22-12(19)9-10(11(17)18)15(14-13-9)7-5-3-4-6-8(7)16(20)21/h3-6H,2H2,1H3,(H,17,18)