tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-oxidanyl-pent-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-oxidanyl-pent-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-pent-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxypent-3-enyl]-4-nitrophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxypent-3-enyl]-4-nitrophenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-pent-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(CC1=C(C=CC(=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C/C(=C\C(CC1=C(C=CC(=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-])O)/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C28H33N3O6/c1-19(21-7-5-6-20(15-21)18-29)14-23(32)16-22-17-25(8-9-26(22)31(34)35)36-24-10-12-30(13-11-24)27(33)37-28(2,3)4/h5-9,14-15,17,23-24,32H,10-13,16H2,1-4H3/b19-14+