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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C12H13ClN4O3 MolecularWeight: 296.70962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O3/c1-2-5-17-11(14-15-16-17)7-20-12(19)9-4-3-8(13)6-10(9)18/h3-4,6,18H,2,5,7H2,1H3