(4-nitrophenyl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (4-nitrophenyl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (4-nitrobenzyl) ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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