[4-(1,2,3,4-tetrazol-1-yl)phenyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C13H11ClN6O2 MolecularWeight: 318.71844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)Cl)C

InChI

InChI=1S/C13H11ClN6O2/c1-8-11(12(14)19(2)16-8)13(21)22-10-5-3-9(4-6-10)20-7-15-17-18-20/h3-7H,1-2H3