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

Systemtic Name: (2,5-diphenylpyrazol-3-yl) 4-methyl-3-nitro-benzoate Openeye Name: (2,5-diphenylpyrazol-3-yl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2,5-diphenyl-3-pyrazolyl) ester IUPAC Name: (2,5-diphenylpyrazol-3-yl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2,5-diphenylpyrazol-3-yl) ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4/c1-16-12-13-18(14-21(16)26(28)29)23(27)30-22-15-20(17-8-4-2-5-9-17)24-25(22)19-10-6-3-7-11-19/h2-15H,1H3