3-[3-(4-diazonioazanidylphenyl)-4-methanoyl-pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(4-diazonioazanidylphenyl)-4-methanoyl-pyrazol-1-yl]propanoate Openeye Name: 3-[3-(4-diazonioazanidylphenyl)-4-formyl-pyrazol-1-yl]propanoate CAS Name: 3-[3-(4-diazonioazanidylphenyl)-4-formyl-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-diazonioazanidylphenyl)-4-formylpyrazol-1-yl]propanoate Traditional Name: 3-[3-(4-diazonioazanidylphenyl)-4-formyl-pyrazol-1-yl]propionate Formula: C13H10N5O3- MolecularWeight: 284.2502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC(=O)[O-])[N-][N+]#N

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC(=O)[O-])[N-][N+]#N

InChI

InChI=1S/C13H11N5O3/c14-17-15-11-3-1-9(2-4-11)13-10(8-19)7-18(16-13)6-5-12(20)21/h1-4,7-8H,5-6H2,(H,20,21)/p-1