(4Z)-4-[(2-nitro-5-oxidanyl-phenyl)methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one

Systemtic Name: (4Z)-4-[(2-nitro-5-oxidanyl-phenyl)methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one Openeye Name: (4Z)-4-[(5-hydroxy-2-nitro-phenyl)methylene]-3-thiazol-2-yl-1H-pyrazol-5-one CAS Name: (4Z)-4-[(5-hydroxy-2-nitrophenyl)methylidene]-3-(2-thiazolyl)-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[(5-hydroxy-2-nitrophenyl)methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one Traditional Name: (4Z)-4-(5-hydroxy-2-nitro-benzylidene)-5-thiazol-2-yl-2-pyrazolin-3-one Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C=C2C(=NNC2=O)C3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1O)/C=C\2/C(=NNC2=O)C3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4S/c18-8-1-2-10(17(20)21)7(5-8)6-9-11(15-16-12(9)19)13-14-3-4-22-13/h1-6,18H,(H,16,19)/b9-6-