tert-butyl N-aminocarbonyl-N-[2-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-aminocarbonyl-N-[2-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate Openeye Name: tert-butyl N-carbamoyl-N-[2-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate CAS Name: N-carbamoyl-N-[2-[2-(1-methyl-4-nitro-2-pyrrolyl)-3H-benzimidazol-5-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-carbamoyl-N-[2-[2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamate Traditional Name: N-carbamoyl-N-[2-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]ethyl]carbamic acid tert-butyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC1=CC2=C(C=C1)N=C(N2)C3=CC(=CN3C)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC1=CC2=C(C=C1)N=C(N2)C3=CC(=CN3C)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H24N6O5/c1-20(2,3)31-19(28)25(18(21)27)8-7-12-5-6-14-15(9-12)23-17(22-14)16-10-13(26(29)30)11-24(16)4/h5-6,9-11H,7-8H2,1-4H3,(H2,21,27)(H,22,23)