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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-3-4-10-12(13(18)19)14-15-16(10)9-6-5-8(2)11(7-9)17(20)21/h5-7H,3-4H2,1-2H3,(H,18,19)