(2S)-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(4-fluoranyl-3-nitro-phenyl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(4-fluoro-3-nitrophenyl)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(4-fluoro-3-nitrophenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(4-fluoro-3-nitro-phenyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H20FN3O5/c1-12(2)18(22-17(24)11-28-14-6-4-3-5-7-14)19(25)21-13-8-9-15(20)16(10-13)23(26)27/h3-10,12,18H,11H2,1-2H3,(H,21,25)(H,22,24)/t18-/m0/s1