4-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]butanoic acid

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]butanoic acid Openeye Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butanoic acid CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]butanoic acid IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butanoic acid Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]butyric acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CCCC(=O)O

InChI

InChI=1S/C12H12N4O4/c17-11(18)2-1-5-16-14-12(13-15-16)8-3-4-9-10(6-8)20-7-19-9/h3-4,6H,1-2,5,7H2,(H,17,18)