(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H13ClN4O4 MolecularWeight: 324.71972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C13H13ClN4O4/c1-2-3-18-11(15-16-17-18)6-20-13(19)8-4-9(14)12-10(5-8)21-7-22-12/h4-5H,2-3,6-7H2,1H3