[1-(2-diethylaminoethyl)-5-nitro-benzimidazol-2-yl]-(4-ethoxyphenyl)methanol

Systemtic Name: [1-(2-diethylaminoethyl)-5-nitro-benzimidazol-2-yl]-(4-ethoxyphenyl)methanol Openeye Name: [1-(2-diethylaminoethyl)-5-nitro-benzimidazol-2-yl]-(4-ethoxyphenyl)methanol CAS Name: [1-(2-diethylaminoethyl)-5-nitro-2-benzimidazolyl]-(4-ethoxyphenyl)methanol IUPAC Name: [1-(2-diethylaminoethyl)-5-nitrobenzimidazol-2-yl]-(4-ethoxyphenyl)methanol Traditional Name: [1-(2-diethylaminoethyl)-5-nitro-benzimidazol-2-yl]-p-phenetyl-methanol Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C(C3=CC=C(C=C3)OCC)O

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1C(C3=CC=C(C=C3)OCC)O

InChI

InChI=1S/C22H28N4O4/c1-4-24(5-2)13-14-25-20-12-9-17(26(28)29)15-19(20)23-22(25)21(27)16-7-10-18(11-8-16)30-6-3/h7-12,15,21,27H,4-6,13-14H2,1-3H3