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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C14H12BrN5O5 MolecularWeight: 410.17958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN5O5/c1-8-16-5-14(20(22)23)19(8)6-13(21)18-17-4-9-2-11-12(3-10(9)15)25-7-24-11/h2-5H,6-7H2,1H3,(H,18,21)/b17-4+