(2,5-diphenylpyrazol-3-yl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (2,5-diphenylpyrazol-3-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (2,5-diphenylpyrazol-3-yl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (2,5-diphenyl-3-pyrazolyl) ester IUPAC Name: (2,5-diphenylpyrazol-3-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2,5-diphenylpyrazol-3-yl) ester Formula: C22H14ClN3O4 MolecularWeight: 419.81726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClN3O4/c23-19-13-17(26(28)29)11-12-18(19)22(27)30-21-14-20(15-7-3-1-4-8-15)24-25(21)16-9-5-2-6-10-16/h1-14H