N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-2-oxidanyl-benzamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-2-oxidanyl-benzamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-hydroxy-5-nitro-benzamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-5-nitrobenzamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxy-5-nitrobenzamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-hydroxy-5-nitro-benzamide Formula: C15H10BrN3O6 MolecularWeight: 408.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN3O6/c16-11-5-14-13(24-7-25-14)3-8(11)6-17-18-15(21)10-4-9(19(22)23)1-2-12(10)20/h1-6,20H,7H2,(H,18,21)/b17-6+