2-acetamido-N-[(E,2S)-4-cyano-4-(4-nitrophenyl)-3-oxidanyl-1-phenyl-but-3-en-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-acetamido-N-[(E,2S)-4-cyano-4-(4-nitrophenyl)-3-oxidanyl-1-phenyl-but-3-en-2-yl]-4-methyl-pentanamide Openeye Name: 2-acetamido-N-[(E,1S)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[(E,2S)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[(E,2S)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[(E,1S)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]-4-methyl-valeramide Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O5/c1-16(2)13-23(27-17(3)30)25(32)28-22(14-18-7-5-4-6-8-18)24(31)21(15-26)19-9-11-20(12-10-19)29(33)34/h4-12,16,22-23,31H,13-14H2,1-3H3,(H,27,30)(H,28,32)/b24-21-/t22-,23?/m0/s1