N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(3-hydroxypropylcarbamoyl)vinyl]-5-bromo-furan-2-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(3-hydroxypropylcarbamoyl)vinyl]-5-bromo-2-furamide Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCO)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCCO)/NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H17BrN2O6/c19-16-5-4-14(27-16)18(24)21-12(17(23)20-6-1-7-22)8-11-2-3-13-15(9-11)26-10-25-13/h2-5,8-9,22H,1,6-7,10H2,(H,20,23)(H,21,24)/b12-8+