(2-nitrophenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (2-nitrophenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (2-nitrobenzyl) ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

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