(2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Systemtic Name: (2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Openeye Name: (2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolo[3,2-a]benzimidazol-1-one CAS Name: (2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-thiazolo[3,2-a]benzimidazolone IUPAC Name: (2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one Traditional Name: (2E)-6,7-dimethyl-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazolo[3,2-a]benzimidazol-1-one Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(=O)C(=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5)SC3=N2

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(=O)/C(=C\C4=CC5=C(C=C4[N+](=O)[O-])OCO5)/SC3=N2

InChI

InChI=1S/C19H13N3O5S/c1-9-3-12-14(4-10(9)2)21-18(23)17(28-19(21)20-12)6-11-5-15-16(27-8-26-15)7-13(11)22(24)25/h3-7H,8H2,1-2H3/b17-6+