ethanedioic acid; 1-[4-(3-methyl-4-nitro-phenoxy)butyl]benzimidazole

Systemtic Name: ethanedioic acid; 1-[4-(3-methyl-4-nitro-phenoxy)butyl]benzimidazole Openeye Name: 1-[4-(3-methyl-4-nitro-phenoxy)butyl]benzimidazole; oxalic acid CAS Name: 1-[4-(3-methyl-4-nitrophenoxy)butyl]benzimidazole; oxalic acid IUPAC Name: 1-[4-(3-methyl-4-nitrophenoxy)butyl]benzimidazole; oxalic acid Traditional Name: 1-[4-(3-methyl-4-nitro-phenoxy)butyl]benzimidazole; oxalic acid Formula: C20H21N3O7 MolecularWeight: 415.39664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCN2C=NC3=CC=CC=C32)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19N3O3.C2H2O4/c1-14-12-15(8-9-17(14)21(22)23)24-11-5-4-10-20-13-19-16-6-2-3-7-18(16)20;3-1(4)2(5)6/h2-3,6-9,12-13H,4-5,10-11H2,1H3;(H,3,4)(H,5,6)