N-[(E)-1-(4-bromophenyl)-3-[3-(dimethylamino)propylamino]-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-[3-(dimethylamino)propylamino]-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-[3-(dimethylamino)propylcarbamoyl]vinyl]-4-nitro-benzamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-[3-(dimethylamino)propylcarbamoyl]vinyl]-4-nitro-benzamide Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CCCNC(=O)/C(=C\C1=CC=C(C=C1)Br)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O4/c1-25(2)13-3-12-23-21(28)19(14-15-4-8-17(22)9-5-15)24-20(27)16-6-10-18(11-7-16)26(29)30/h4-11,14H,3,12-13H2,1-2H3,(H,23,28)(H,24,27)/b19-14+