(2,5-diphenylpyrazol-3-yl) 3-nitrobenzoate

Systemtic Name: (2,5-diphenylpyrazol-3-yl) 3-nitrobenzoate Openeye Name: (2,5-diphenylpyrazol-3-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2,5-diphenyl-3-pyrazolyl) ester IUPAC Name: (2,5-diphenylpyrazol-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2,5-diphenylpyrazol-3-yl) ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O4/c26-22(17-10-7-13-19(14-17)25(27)28)29-21-15-20(16-8-3-1-4-9-16)23-24(21)18-11-5-2-6-12-18/h1-15H