methyl 4-cyano-2,5-diphenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-cyano-2,5-diphenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-cyano-2,5-diphenyl-pyrazole-3-carboxylate CAS Name: 4-cyano-2,5-diphenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-2,5-diphenylpyrazole-3-carboxylate Traditional Name: 4-cyano-2,5-diphenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H13N3O2/c1-23-18(22)17-15(12-19)16(13-8-4-2-5-9-13)20-21(17)14-10-6-3-7-11-14/h2-11H,1H3