2-(4-nitrophenyl)-5-(phenylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-(phenylmethyl)-1H-pyrazol-3-one Openeye Name: 5-benzyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-(phenylmethyl)-1H-pyrazol-3-one IUPAC Name: 5-benzyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 5-benzyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3/c20-16-11-13(10-12-4-2-1-3-5-12)17-18(16)14-6-8-15(9-7-14)19(21)22/h1-9,11,17H,10H2