(5E)-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-2-phenylazanyl-1,3-thiazol-4-one

Systemtic Name: (5E)-5-[(3-nitro-2-oxidanyl-phenyl)methylidene]-2-phenylazanyl-1,3-thiazol-4-one Openeye Name: (5E)-2-anilino-5-[(2-hydroxy-3-nitro-phenyl)methylene]thiazol-4-one CAS Name: (5E)-2-anilino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-anilino-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-anilino-5-(2-hydroxy-3-nitro-benzylidene)-2-thiazolin-4-one Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=C(C(=CC=C3)[N+](=O)[O-])O)S2

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)/C(=C\C3=C(C(=CC=C3)[N+](=O)[O-])O)/S2

InChI

InChI=1S/C16H11N3O4S/c20-14-10(5-4-8-12(14)19(22)23)9-13-15(21)18-16(24-13)17-11-6-2-1-3-7-11/h1-9,20H,(H,17,18,21)/b13-9+