5-methyl-4-(4-nitrophenoxy)-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(4-nitrophenoxy)-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one Openeye Name: 5-methyl-4-(4-nitrophenoxy)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-4-(4-nitrophenoxy)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-4-(4-nitrophenoxy)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-4-(4-nitrophenoxy)-2-(2,4,6-trichlorophenyl)-2-pyrazolin-3-one Formula: C16H10Cl3N3O4 MolecularWeight: 414.6273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C1OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C16H10Cl3N3O4/c1-8-15(26-11-4-2-10(3-5-11)22(24)25)16(23)21(20-8)14-12(18)6-9(17)7-13(14)19/h2-7,15H,1H3