ethyl 3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(2-diethylaminoethyl)-2-benzimidazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(2-diethylaminoethyl)benzimidazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C23H27N5O5/c1-4-26(5-2)11-12-27-20-10-8-7-9-19(20)24-23(27)25-21(29)16-13-17(22(30)33-6-3)15-18(14-16)28(31)32/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,24,25,29)