4-fluoranyl-N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-fluoro-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide CAS Name: 4-fluoro-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-fluoro-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-fluoro-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide Formula: C20H23FN4O4 MolecularWeight: 402.419423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN4O4/c1-13(2)18(24-19(26)14-3-5-15(21)6-4-14)20(27)23-12-11-22-16-7-9-17(10-8-16)25(28)29/h3-10,13,18,22H,11-12H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1