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

Systemtic Name: N-[4-bromanyl-5-oxidanylidene-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-nitrobenzamide IUPAC Name: N-[4-bromo-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[4-bromo-5-keto-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]-3-nitro-benzamide Formula: C16H8BrCl3N4O4 MolecularWeight: 506.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN(C(=O)C2Br)C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN(C(=O)C2Br)C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C16H8BrCl3N4O4/c17-12-14(21-15(25)7-2-1-3-9(4-7)24(27)28)22-23(16(12)26)13-10(19)5-8(18)6-11(13)20/h1-6,12H,(H,21,22,25)