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

Systemtic Name: tert-butyl N-[(E,2S)-4-cyano-1-cyclohexyl-4-(4-nitrophenyl)-3-oxidanyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-cyano-1-(cyclohexylmethyl)-2-hydroxy-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E,2S)-4-cyano-1-cyclohexyl-3-hydroxy-4-(4-nitrophenyl)but-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-4-cyano-1-cyclohexyl-3-hydroxy-4-(4-nitrophenyl)but-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-3-cyano-1-(cyclohexylmethyl)-2-hydroxy-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)/C(=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])/O

InChI

InChI=1S/C22H29N3O5/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/h9-12,15,19,26H,4-8,13H2,1-3H3,(H,24,27)/b20-18-/t19-/m0/s1