3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]propanoate

Systemtic Name: 3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]propanoate Openeye Name: 3-[4-(tetrazol-1-yl)phenyl]propanoate CAS Name: 3-[4-(1-tetrazolyl)phenyl]propanoate IUPAC Name: 3-[4-(tetrazol-1-yl)phenyl]propanoate Traditional Name: 3-[4-(tetrazol-1-yl)phenyl]propionate Formula: C10H9N4O2- MolecularWeight: 217.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])N2C=NN=N2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])N2C=NN=N2

InChI

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