2-[(4-nitrophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one

Systemtic Name: 2-[(4-nitrophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one Openeye Name: 2-[(4-nitrophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one CAS Name: 2-[(4-nitrophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 2-[(4-nitrophenyl)methyl]-4,5-diphenyl-1H-pyrazol-3-one Traditional Name: 2-(4-nitrobenzyl)-4,5-diphenyl-3-pyrazolin-3-one Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3/c26-22-20(17-7-3-1-4-8-17)21(18-9-5-2-6-10-18)23-24(22)15-16-11-13-19(14-12-16)25(27)28/h1-14,23H,15H2