tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-nitro-phenoxy]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-nitro-phenoxy]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-nitro-phenoxy]azetidine-1-carboxylate CAS Name: 3-[3-[2-(7-cyano-2-naphthalenyl)-2-hydroxyethyl]-4-nitrophenoxy]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-(7-cyanonaphthalen-2-yl)-2-hydroxyethyl]-4-nitrophenoxy]azetidine-1-carboxylate Traditional Name: 3-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-nitro-phenoxy]azetidine-1-carboxylic acid tert-butyl ester Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

InChI

InChI=1S/C27H27N3O6/c1-27(2,3)36-26(32)29-15-23(16-29)35-22-8-9-24(30(33)34)21(12-22)13-25(31)19-7-6-18-5-4-17(14-28)10-20(18)11-19/h4-12,23,25,31H,13,15-16H2,1-3H3