(2S)-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O6/c1-13(2)19(22-18(25)12-29-16-6-4-3-5-7-16)20(26)21-11-14-10-15(23(27)28)8-9-17(14)24/h3-10,13,19,24H,11-12H2,1-2H3,(H,21,26)(H,22,25)/t19-/m0/s1