O3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl] ester O1-methyl ester Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H16N4O6/c1-13-18(11-22)19(24(23-13)16-6-4-3-5-7-16)12-31-21(27)15-8-14(20(26)30-2)9-17(10-15)25(28)29/h3-10H,12H2,1-2H3