[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)[C@@H](C#N)C(=N)C)C3=CC=CC=C3

InChI

InChI=1S/C23H20N4O3/c1-15-8-6-7-11-18(15)22-20(13-27(26-22)17-9-4-3-5-10-17)23(29)30-14-21(28)19(12-24)16(2)25/h3-11,13,19,25H,14H2,1-2H3/t19-/m0/s1