tert-butyl 4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidine-1-carboxylate Traditional Name: 4-[allyl-(4-nitrobenzyl)oxycarbonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6/c1-5-12-23(17-10-13-22(14-11-17)19(25)30-21(2,3)4)20(26)29-15-16-6-8-18(9-7-16)24(27)28/h5-9,17H,1,10-15H2,2-4H3