3-nitro-N-[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]benzamide

Systemtic Name: 3-nitro-N-[5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]benzamide Openeye Name: 3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]benzamide CAS Name: 3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]benzamide IUPAC Name: 3-nitro-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]benzamide Traditional Name: N-[5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-4-yl]-3-nitro-benzamide Formula: C16H9Cl3N4O4 MolecularWeight: 427.62606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2C=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2C=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C16H9Cl3N4O4/c17-9-5-11(18)14(12(19)6-9)22-16(25)13(7-20-22)21-15(24)8-2-1-3-10(4-8)23(26)27/h1-7,13H,(H,21,24)