2-[3-(3-methyl-2-nitro-phenoxy)propyl]-1H-benzimidazole

Systemtic Name: 2-[3-(3-methyl-2-nitro-phenoxy)propyl]-1H-benzimidazole Openeye Name: 2-[3-(3-methyl-2-nitro-phenoxy)propyl]-1H-benzimidazole CAS Name: 2-[3-(3-methyl-2-nitrophenoxy)propyl]-1H-benzimidazole IUPAC Name: 2-[3-(3-methyl-2-nitrophenoxy)propyl]-1H-benzimidazole Traditional Name: 2-[3-(3-methyl-2-nitro-phenoxy)propyl]-1H-benzimidazole Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-12-6-4-9-15(17(12)20(21)22)23-11-5-10-16-18-13-7-2-3-8-14(13)19-16/h2-4,6-9H,5,10-11H2,1H3,(H,18,19)