(2S)-3-(4-cyanophenoxy)-2-methyl-N-(3-methyl-4-nitro-phenyl)-2-oxidanyl-propanamide

Systemtic Name: (2S)-3-(4-cyanophenoxy)-2-methyl-N-(3-methyl-4-nitro-phenyl)-2-oxidanyl-propanamide Openeye Name: (2S)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitro-phenyl)propanamide CAS Name: (2S)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide IUPAC Name: (2S)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide Traditional Name: (2S)-3-(4-cyanophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitro-phenyl)propionamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-12-9-14(5-8-16(12)21(24)25)20-17(22)18(2,23)11-26-15-6-3-13(10-19)4-7-15/h3-9,23H,11H2,1-2H3,(H,20,22)/t18-/m0/s1