2-(4-bromanyl-2-nitro-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2-nitro-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2-nitro-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(4-bromo-2-nitrophenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2-nitrophenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(4-bromo-2-nitro-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C16H11BrN4O8 MolecularWeight: 467.18454

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)COC3=C(C=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)COC3=C(C=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN4O8/c17-10-1-2-13(12(4-10)21(25)26)27-7-16(22)19-18-6-9-3-14-15(29-8-28-14)5-11(9)20(23)24/h1-6H,7-8H2,(H,19,22)/b18-6+