(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C13H15ClN4O3 MolecularWeight: 310.7362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C13H15ClN4O3/c1-2-3-6-18-12(15-16-17-18)8-21-13(20)10-5-4-9(14)7-11(10)19/h4-5,7,19H,2-3,6,8H2,1H3