tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-4-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-4-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-[3-(tert-butoxycarbonylamino)propylamino]-4-nitro-benzimidazole-1-carboxylate CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-4-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-4-nitrobenzimidazole-1-carboxylate Traditional Name: 2-[3-(tert-butoxycarbonylamino)propylamino]-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)NCCCNC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O6/c1-19(2,3)30-17(26)22-12-8-11-21-16-23-15-13(9-7-10-14(15)25(28)29)24(16)18(27)31-20(4,5)6/h7,9-10H,8,11-12H2,1-6H3,(H,21,23)(H,22,26)