2-[3-(azidomethyl)-4-methoxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(azidomethyl)-4-methoxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-[3-(azidomethyl)-4-methoxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-[3-(azidomethyl)-4-methoxyphenyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(azidomethyl)-4-methoxyphenyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-[3-(azidomethyl)-4-methoxy-phenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)OC)CN=[N+]=[N-]

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)C2=CC(=C(C=C2)OC)CN=[N+]=[N-]

InChI

InChI=1S/C13H13N5O3/c1-8-5-11(13(19)20)18(16-8)10-3-4-12(21-2)9(6-10)7-15-17-14/h3-6H,7H2,1-2H3,(H,19,20)