4-(2-methyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-butanoate

Systemtic Name: 4-(2-methyl-1,2,3,4-tetrazol-5-yl)-2-phenyl-butanoate Openeye Name: 4-(2-methyltetrazol-5-yl)-2-phenyl-butanoate CAS Name: 4-(2-methyl-5-tetrazolyl)-2-phenylbutanoate IUPAC Name: 4-(2-methyltetrazol-5-yl)-2-phenylbutanoate Traditional Name: 4-(2-methyltetrazol-5-yl)-2-phenyl-butyrate Formula: C12H13N4O2- MolecularWeight: 245.25722

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)CCC(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CN1N=C(N=N1)CCC(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N4O2/c1-16-14-11(13-15-16)8-7-10(12(17)18)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,17,18)/p-1