tert-butyl N-[(E)-4-cyano-4-(4-nitrophenyl)-3-oxidanyl-1-phenyl-but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E)-4-cyano-4-(4-nitrophenyl)-3-oxidanyl-1-phenyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-4-cyano-3-hydroxy-4-(4-nitrophenyl)-1-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(E)-1-benzyl-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-22(2,3)30-21(27)24-19(13-15-7-5-4-6-8-15)20(26)18(14-23)16-9-11-17(12-10-16)25(28)29/h4-12,19,26H,13H2,1-3H3,(H,24,27)/b20-18-