tert-butyl N-[3-[(2,3-dimethyl-5-nitro-6-phenoxy-pyridin-4-yl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(2,3-dimethyl-5-nitro-6-phenoxy-pyridin-4-yl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridyl)amino]propyl]carbamate CAS Name: N-[3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridinyl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(2,3-dimethyl-5-nitro-6-phenoxypyridin-4-yl)amino]propyl]carbamate Traditional Name: N-[3-[(2,3-dimethyl-5-nitro-6-phenoxy-4-pyridyl)amino]propyl]carbamic acid tert-butyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(N=C1C)OC2=CC=CC=C2)[N+](=O)[O-])NCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O5/c1-14-15(2)24-19(29-16-10-7-6-8-11-16)18(25(27)28)17(14)22-12-9-13-23-20(26)30-21(3,4)5/h6-8,10-11H,9,12-13H2,1-5H3,(H,22,24)(H,23,26)