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

Systemtic Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-oxidanylidene-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-oxo-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-oxobut-3-enyl]-4-nitrophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-oxobut-3-enyl]-4-nitrophenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-keto-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C=CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)/C=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H29N3O6/c1-27(2,3)36-26(32)29-13-11-23(12-14-29)35-24-9-10-25(30(33)34)21(17-24)16-22(31)8-7-19-5-4-6-20(15-19)18-28/h4-10,15,17,23H,11-14,16H2,1-3H3/b8-7+