tert-butyl 2-(2-dimethylaminoethylamino)-4-nitro-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-dimethylaminoethylamino)-4-nitro-benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-(2-dimethylaminoethylamino)-4-nitro-benzimidazole-1-carboxylate CAS Name: 2-(2-dimethylaminoethylamino)-4-nitro-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-dimethylaminoethylamino)-4-nitrobenzimidazole-1-carboxylate Traditional Name: 2-(2-dimethylaminoethylamino)-4-nitro-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/c1-16(2,3)25-15(22)20-11-7-6-8-12(21(23)24)13(11)18-14(20)17-9-10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,18)