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

Systemtic Name: 2-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-1-nitro-guanidine Openeye Name: 2-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-1-nitro-guanidine CAS Name: 2-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]-5-benzimidazolyl]-1-nitroguanidine IUPAC Name: 2-[1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]-1-nitroguanidine Traditional Name: 2-[1-(2-diethylaminoethyl)-2-(4-ethoxybenzyl)benzimidazol-5-yl]-1-nitro-guanidine Formula: C23H31N7O3 MolecularWeight: 453.53734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)N=C(N)N[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)N=C(N)N[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H31N7O3/c1-4-28(5-2)13-14-29-21-12-9-18(25-23(24)27-30(31)32)16-20(21)26-22(29)15-17-7-10-19(11-8-17)33-6-3/h7-12,16H,4-6,13-15H2,1-3H3,(H3,24,25,27)