(3-nitrophenyl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (3-nitrophenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (3-nitrobenzyl) ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4/c27-23(30-16-17-8-7-13-20(14-17)26(28)29)21-15-25(19-11-5-2-6-12-19)24-22(21)18-9-3-1-4-10-18/h1-15H,16H2