ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]benzimidazole

Systemtic Name: ethanedioic acid; 1-[2-(3-nitrophenoxy)ethyl]benzimidazole Openeye Name: 1-[2-(3-nitrophenoxy)ethyl]benzimidazole; oxalic acid CAS Name: 1-[2-(3-nitrophenoxy)ethyl]benzimidazole; oxalic acid IUPAC Name: 1-[2-(3-nitrophenoxy)ethyl]benzimidazole; oxalic acid Traditional Name: 1-[2-(3-nitrophenoxy)ethyl]benzimidazole; oxalic acid Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13N3O3.C2H2O4/c19-18(20)12-4-3-5-13(10-12)21-9-8-17-11-16-14-6-1-2-7-15(14)17;3-1(4)2(5)6/h1-7,10-11H,8-9H2;(H,3,4)(H,5,6)