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

Systemtic Name: N-[(E)-3-[3-(dimethylamino)propylamino]-1-(2-fluorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-[3-(dimethylamino)propylcarbamoyl]-2-(2-fluorophenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-[3-(dimethylamino)propylamino]-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-[3-(dimethylamino)propylamino]-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-[3-(dimethylamino)propylcarbamoyl]-2-(2-fluorophenyl)vinyl]-4-nitro-benzamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C(=CC1=CC=CC=C1F)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNC(=O)/C(=C\C1=CC=CC=C1F)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4/c1-25(2)13-5-12-23-21(28)19(14-16-6-3-4-7-18(16)22)24-20(27)15-8-10-17(11-9-15)26(29)30/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,28)(H,24,27)/b19-14+