tert-butyl 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-[2-[tert-butoxycarbonyl(methyl)amino]ethylamino]-4-nitro-benzimidazole-1-carboxylate CAS Name: 2-[2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-4-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]-4-nitrobenzimidazole-1-carboxylate Traditional Name: 2-[2-[tert-butoxycarbonyl(methyl)amino]ethylamino]-4-nitro-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)[N+](=O)[O-])N=C1NCCN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)[N+](=O)[O-])N=C1NCCN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N5O6/c1-19(2,3)30-17(26)23(7)12-11-21-16-22-15-13(9-8-10-14(15)25(28)29)24(16)18(27)31-20(4,5)6/h8-10H,11-12H2,1-7H3,(H,21,22)