(4Z)-2-azanyl-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one

Systemtic Name: (4Z)-2-azanyl-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Openeye Name: (4Z)-2-amino-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3-methyl-1H-imidazol-3-ium-5-one CAS Name: (4Z)-2-amino-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one IUPAC Name: (4Z)-2-amino-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-methyl-1H-imidazol-3-ium-5-one Traditional Name: (5Z)-2-amino-5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-methyl-2-imidazolin-1-ium-4-one Formula: C12H11ClN3O3+ MolecularWeight: 280.68704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC3=C(C=C2Cl)OCO3)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C/C2=CC3=C(C=C2Cl)OCO3)N

InChI

InChI=1S/C12H10ClN3O3/c1-16-8(11(17)15-12(16)14)2-6-3-9-10(4-7(6)13)19-5-18-9/h2-4H,5H2,1H3,(H2,14,15,17)/p+1/b8-2-