(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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