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

Systemtic Name: methyl 1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxylate CAS Name: 1-[(5-phenyl-2-tetrazolyl)methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxylate Traditional Name: 1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxylic acid methyl ester Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C=C1)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H12N6O2/c1-21-13(20)11-7-8-18(15-11)9-19-16-12(14-17-19)10-5-3-2-4-6-10/h2-8H,9H2,1H3