N'-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide

Systemtic Name: N'-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide Openeye Name: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-N-(3-pyridylmethyl)propanediamide CAS Name: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(3-pyridinylmethyl)propanediamide IUPAC Name: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide Traditional Name: N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-N-(3-pyridylmethyl)malonamide Formula: C17H15BrN4O4 MolecularWeight: 419.2294

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CC(=O)NCC3=CN=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CC(=O)NCC3=CN=CC=C3)Br

InChI

InChI=1S/C17H15BrN4O4/c18-13-5-15-14(25-10-26-15)4-12(13)9-21-22-17(24)6-16(23)20-8-11-2-1-3-19-7-11/h1-5,7,9H,6,8,10H2,(H,20,23)(H,22,24)/b21-9+