1-methyl-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one

Systemtic Name: 1-methyl-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one Openeye Name: 1-methyl-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one CAS Name: 1-methyl-2-(4-nitrophenyl)-5-phenyl-3-pyrazolone IUPAC Name: 1-methyl-2-(4-nitrophenyl)-5-phenylpyrazol-3-one Traditional Name: 1-methyl-2-(4-nitrophenyl)-5-phenyl-3-pyrazolin-3-one Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3/c1-17-15(12-5-3-2-4-6-12)11-16(20)18(17)13-7-9-14(10-8-13)19(21)22/h2-11H,1H3