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

Systemtic Name: N-[(E)-3-(tert-butylamino)-1-(2-fluorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(2-fluorophenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-(tert-butylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(tert-butylamino)-1-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(2-fluorophenyl)vinyl]-4-nitro-benzamide Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4/c1-20(2,3)23-19(26)17(12-14-6-4-5-7-16(14)21)22-18(25)13-8-10-15(11-9-13)24(27)28/h4-12H,1-3H3,(H,22,25)(H,23,26)/b17-12+