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

Systemtic Name: tert-butyl N-[(E,2S)-4-cyano-1-naphthalen-2-yl-4-(4-nitrophenyl)-3-oxidanyl-but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-3-cyano-2-hydroxy-1-(2-naphthylmethyl)-3-(4-nitrophenyl)allyl]carbamate CAS Name: N-[(E,2S)-4-cyano-3-hydroxy-1-(2-naphthalenyl)-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-naphthalen-2-yl-4-(4-nitrophenyl)but-3-en-2-yl]carbamate Traditional Name: N-[(E,1S)-3-cyano-2-hydroxy-1-(2-naphthylmethyl)-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)/C(=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C26H25N3O5/c1-26(2,3)34-25(31)28-23(15-17-8-9-18-6-4-5-7-20(18)14-17)24(30)22(16-27)19-10-12-21(13-11-19)29(32)33/h4-14,23,30H,15H2,1-3H3,(H,28,31)/b24-22-/t23-/m0/s1