5-bromanyl-N-[(Z)-1-(3-nitrophenyl)-3-(octylamino)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(Z)-1-(3-nitrophenyl)-3-(octylamino)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(Z)-2-(3-nitrophenyl)-1-(octylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(Z)-1-(3-nitrophenyl)-3-(octylamino)-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(Z)-1-(3-nitrophenyl)-3-(octylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(Z)-2-(3-nitrophenyl)-1-(octylcarbamoyl)vinyl]-2-furamide Formula: C22H26BrN3O5 MolecularWeight: 492.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C22H26BrN3O5/c1-2-3-4-5-6-7-13-24-21(27)18(25-22(28)19-11-12-20(23)31-19)15-16-9-8-10-17(14-16)26(29)30/h8-12,14-15H,2-7,13H2,1H3,(H,24,27)(H,25,28)/b18-15-