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

Systemtic Name: tert-butyl N-[(E,2S)-4-cyano-1-(4-hydroxyphenyl)-4-(4-nitrophenyl)-3-oxidanyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-cyano-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E,2S)-4-cyano-3-hydroxy-1-(4-hydroxyphenyl)-4-(4-nitrophenyl)but-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S)-4-cyano-3-hydroxy-1-(4-hydroxyphenyl)-4-(4-nitrophenyl)but-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-3-cyano-2-hydroxy-1-(4-hydroxybenzyl)-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-22(2,3)31-21(28)24-19(12-14-4-10-17(26)11-5-14)20(27)18(13-23)15-6-8-16(9-7-15)25(29)30/h4-11,19,26-27H,12H2,1-3H3,(H,24,28)/b20-18-/t19-/m0/s1