(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4/c1-13-8-9-15(10-18(13)24(26)27)20(25)28-12-19-17(11-21)14(2)22-23(19)16-6-4-3-5-7-16/h3-10H,12H2,1-2H3