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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-nitrophenyl)acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenyl)acetamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-nitrophenyl)acetamide Formula: C16H12BrN3O5 MolecularWeight: 406.18758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN3O5/c17-13-7-15-14(24-9-25-15)6-11(13)8-18-19-16(21)5-10-1-3-12(4-2-10)20(22)23/h1-4,6-8H,5,9H2,(H,19,21)/b18-8+