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

Systemtic Name: methyl 1-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate CAS Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

Isomeric SMILES

COC(=O)C1=NN(C=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4

InChI

InChI=1S/C18H14N6O2/c1-26-18(25)16-9-10-24(21-16)13-7-8-14(12-5-3-2-4-6-12)15(11-13)17-19-22-23-20-17/h2-11H,1H3,(H,19,20,22,23)