tert-butyl N-[(E)-12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodec-3-enyl]carbamate

Systemtic Name: tert-butyl N-[(E)-12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodec-3-enyl]carbamate Openeye Name: tert-butyl N-[(E)-12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodec-3-enyl]carbamate CAS Name: N-[(E)-12-[1-(2,4-dinitrophenyl)-3-pyridin-1-iumyl]dodec-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodec-3-enyl]carbamate Traditional Name: N-[(E)-12-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]dodec-3-enyl]carbamic acid tert-butyl ester Formula: C28H39N4O6+ MolecularWeight: 527.63246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC=CCCCCCCCCC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC/C=C/CCCCCCCCC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H38N4O6/c1-28(2,3)38-27(33)29-19-13-11-9-7-5-4-6-8-10-12-15-23-16-14-20-30(22-23)25-18-17-24(31(34)35)21-26(25)32(36)37/h9,11,14,16-18,20-22H,4-8,10,12-13,15,19H2,1-3H3/p+1/b11-9+