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

Systemtic Name: tert-butyl N-[(E,2S)-4-cyano-1-(1H-indol-3-yl)-4-(4-nitrophenyl)-3-oxidanyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-cyano-2-hydroxy-1-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E,2S)-4-cyano-3-hydroxy-1-(1H-indol-3-yl)-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-(1H-indol-3-yl)-4-(4-nitrophenyl)but-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-3-cyano-2-hydroxy-1-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)/C(=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C24H24N4O5/c1-24(2,3)33-23(30)27-21(12-16-14-26-20-7-5-4-6-18(16)20)22(29)19(13-25)15-8-10-17(11-9-15)28(31)32/h4-11,14,21,26,29H,12H2,1-3H3,(H,27,30)/b22-19-/t21-/m0/s1