4-[(1,2,4-triazol-4-ylamino)methyl]benzoate

Systemtic Name: 4-[(1,2,4-triazol-4-ylamino)methyl]benzoate Openeye Name: 4-[(1,2,4-triazol-4-ylamino)methyl]benzoate CAS Name: 4-[(1,2,4-triazol-4-ylamino)methyl]benzoate IUPAC Name: 4-[(1,2,4-triazol-4-ylamino)methyl]benzoate Traditional Name: 4-[(1,2,4-triazol-4-ylamino)methyl]benzoate Formula: C10H9N4O2- MolecularWeight: 217.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNN2C=NN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNN2C=NN=C2)C(=O)[O-]

InChI

InChI=1S/C10H10N4O2/c15-10(16)9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-4,6-7,13H,5H2,(H,15,16)/p-1