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

Systemtic Name: (5E)-5-[(5-nitro-1,3-benzodioxol-4-yl)methylidene]-2-phenylazanyl-1,3-thiazol-4-one Openeye Name: (5E)-2-anilino-5-[(5-nitro-1,3-benzodioxol-4-yl)methylene]thiazol-4-one CAS Name: (5E)-2-anilino-5-[(5-nitro-1,3-benzodioxol-4-yl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-anilino-5-[(5-nitro-1,3-benzodioxol-4-yl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-anilino-5-[(5-nitro-1,3-benzodioxol-4-yl)methylene]-2-thiazolin-4-one Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)[N+](=O)[O-])C=C3C(=O)N=C(S3)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)[N+](=O)[O-])/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C17H11N3O5S/c21-16-14(26-17(19-16)18-10-4-2-1-3-5-10)8-11-12(20(22)23)6-7-13-15(11)25-9-24-13/h1-8H,9H2,(H,18,19,21)/b14-8+