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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCCN2C=C(N=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCCN2C=C(N=N2)C(=O)O)[N+](=O)[O-]

InChI

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