(4-nitrophenyl)methyl 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4/c27-22(30-15-16-8-10-19(11-9-16)26(28)29)20-14-25(18-6-2-1-3-7-18)24-21(20)17-5-4-12-23-13-17/h1-14H,15H2