tert-butyl 4-[[1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-3-en-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-3-en-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-[(4-nitrophenyl)methoxycarbonyl]allylamino]piperidine-1-carboxylate CAS Name: 4-[[1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[1-(4-nitrobenzyl)oxycarbonylallylamino]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)NC(C=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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