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

Systemtic Name: (phenylmethyl) N-[(E,2S)-4-cyano-4-(4-nitrophenyl)-3-oxidanyl-1-phenyl-but-3-en-2-yl]carbamate Openeye Name: benzyl N-[(E,1S)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E,2S)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(E,2S)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]carbamic acid benzyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](/C(=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])/O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H21N3O5/c26-16-22(20-11-13-21(14-12-20)28(31)32)24(29)23(15-18-7-3-1-4-8-18)27-25(30)33-17-19-9-5-2-6-10-19/h1-14,23,29H,15,17H2,(H,27,30)/b24-22-/t23-/m0/s1