4-azido-5-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-azido-5-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 4-azido-5-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 4-azido-5-ethoxycarbonyl-2-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-azido-5-ethoxycarbonyl-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 4-azido-5-carbethoxy-2-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C14H13N5O5 MolecularWeight: 331.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1N=[N+]=[N-])C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H13N5O5/c1-3-24-14(22)11-10(16-18-15)12(13(20)21)19(17-11)8-4-6-9(23-2)7-5-8/h4-7H,3H2,1-2H3,(H,20,21)