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

Systemtic Name: 4-iodanyl-1-methyl-5-(4-nitrophenyl)-2-phenyl-pyrazol-3-one Openeye Name: 4-iodo-1-methyl-5-(4-nitrophenyl)-2-phenyl-pyrazol-3-one CAS Name: 4-iodo-1-methyl-5-(4-nitrophenyl)-2-phenyl-3-pyrazolone IUPAC Name: 4-iodo-1-methyl-5-(4-nitrophenyl)-2-phenylpyrazol-3-one Traditional Name: 4-iodo-1-methyl-5-(4-nitrophenyl)-2-phenyl-3-pyrazolin-3-one Formula: C16H12IN3O3 MolecularWeight: 421.18925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN3O3/c1-18-15(11-7-9-13(10-8-11)20(22)23)14(17)16(21)19(18)12-5-3-2-4-6-12/h2-10H,1H3