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

Systemtic Name: (2S)-3-methyl-N-(4-methyl-3-nitro-phenyl)-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-(4-methyl-3-nitro-phenyl)-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-(4-methyl-3-nitrophenyl)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-(4-methyl-3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-(4-methyl-3-nitro-phenyl)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-13(2)19(22-18(24)12-28-16-7-5-4-6-8-16)20(25)21-15-10-9-14(3)17(11-15)23(26)27/h4-11,13,19H,12H2,1-3H3,(H,21,25)(H,22,24)/t19-/m0/s1