tert-butyl N-[13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecyl]carbamate

Systemtic Name: tert-butyl N-[13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecyl]carbamate Openeye Name: tert-butyl N-[13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecyl]carbamate CAS Name: N-[13-[1-(2,4-dinitrophenyl)-3-pyridin-1-iumyl]tridecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecyl]carbamate Traditional Name: N-[13-[1-(2,4-dinitrophenyl)pyridin-1-ium-3-yl]tridecyl]carbamic acid tert-butyl ester Formula: C29H43N4O6+ MolecularWeight: 543.67492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCCCCC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCCCC1=C[N+](=CC=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H42N4O6/c1-29(2,3)39-28(34)30-20-14-12-10-8-6-4-5-7-9-11-13-16-24-17-15-21-31(23-24)26-19-18-25(32(35)36)22-27(26)33(37)38/h15,17-19,21-23H,4-14,16,20H2,1-3H3/p+1