N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)carbamoyl]vinyl]-5-bromo-furan-2-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-5-bromo-2-furancarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)carbamoyl]vinyl]-5-bromo-2-furamide Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C22H17BrN2O6/c1-28-15-5-3-14(4-6-15)24-21(26)16(25-22(27)18-8-9-20(23)31-18)10-13-2-7-17-19(11-13)30-12-29-17/h2-11H,12H2,1H3,(H,24,26)(H,25,27)/b16-10+