4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methyl]benzoate Openeye Name: 4-[[(5-aminotetrazol-1-yl)amino]methyl]benzoate CAS Name: 4-[[(5-amino-1-tetrazolyl)amino]methyl]benzoate IUPAC Name: 4-[[(5-aminotetrazol-1-yl)amino]methyl]benzoate Traditional Name: 4-[[(5-aminotetrazol-1-yl)amino]methyl]benzoate Formula: C9H9N6O2- MolecularWeight: 233.20676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNN2C(=NN=N2)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNN2C(=NN=N2)N)C(=O)[O-]

InChI

InChI=1S/C9H10N6O2/c10-9-12-13-14-15(9)11-5-6-1-3-7(4-2-6)8(16)17/h1-4,11H,5H2,(H,16,17)(H2,10,12,14)/p-1