1,3-benzodioxol-5-ylmethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid piperonyl ester Formula: C16H12N4O4 MolecularWeight: 324.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C16H12N4O4/c21-16(12-2-4-13(5-3-12)20-9-17-18-19-20)22-8-11-1-6-14-15(7-11)24-10-23-14/h1-7,9H,8,10H2