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

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-methyl-3-nitro-phenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(2-methyl-3-nitrophenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(2-methyl-3-nitrophenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(2-methyl-3-nitro-phenyl)-5-propyl-triazole-4-carboxylic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C(=CC=C2)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C(=CC=C2)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C13H14N4O4/c1-3-5-11-12(13(18)19)14-15-16(11)9-6-4-7-10(8(9)2)17(20)21/h4,6-7H,3,5H2,1-2H3,(H,18,19)