(4-nitrophenyl)methyl 1-phenylpyrazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C17H13N3O4 MolecularWeight: 323.30282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4/c21-17(24-12-13-6-8-16(9-7-13)20(22)23)14-10-18-19(11-14)15-4-2-1-3-5-15/h1-11H,12H2