1-[2-(2-methyl-5-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-methyl-5-nitro-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-methyl-5-nitro-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-methyl-5-nitrophenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-methyl-5-nitrophenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-methyl-5-nitro-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H12N4O5/c1-8-2-3-9(16(19)20)6-11(8)21-5-4-15-7-10(12(17)18)13-14-15/h2-3,6-7H,4-5H2,1H3,(H,17,18)