2-(2-chloranyl-5-nitro-phenyl)-4-[(1-ethanoyl-3-phenyl-pyrazol-4-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(2-chloranyl-5-nitro-phenyl)-4-[(1-ethanoyl-3-phenyl-pyrazol-4-yl)methylidene]-1,3-oxazol-5-one Openeye Name: 4-[(1-acetyl-3-phenyl-pyrazol-4-yl)methylene]-2-(2-chloro-5-nitro-phenyl)oxazol-5-one CAS Name: 4-[(1-acetyl-3-phenyl-4-pyrazolyl)methylidene]-2-(2-chloro-5-nitrophenyl)-5-oxazolone IUPAC Name: 4-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-2-(2-chloro-5-nitrophenyl)-1,3-oxazol-5-one Traditional Name: 4-[(1-acetyl-3-phenyl-pyrazol-4-yl)methylene]-2-(2-chloro-5-nitro-phenyl)-2-oxazolin-5-one Formula: C21H13ClN4O5 MolecularWeight: 436.80472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13ClN4O5/c1-12(27)25-11-14(19(24-25)13-5-3-2-4-6-13)9-18-21(28)31-20(23-18)16-10-15(26(29)30)7-8-17(16)22/h2-11H,1H3