N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-nitro-1H-benzimidazol-2-amine

Systemtic Name: N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-nitro-1H-benzimidazol-2-amine Openeye Name: N-[2-(2-tert-butylphenoxy)-3-pyridyl]-4-nitro-1H-benzimidazol-2-amine CAS Name: N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-nitro-1H-benzimidazol-2-amine IUPAC Name: N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-4-nitro-1H-benzimidazol-2-amine Traditional Name: [2-(2-tert-butylphenoxy)-3-pyridyl]-(4-nitro-1H-benzimidazol-2-yl)amine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OC2=C(C=CC=N2)NC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-22(2,3)14-8-4-5-12-18(14)30-20-16(10-7-13-23-20)25-21-24-15-9-6-11-17(27(28)29)19(15)26-21/h4-13H,1-3H3,(H2,24,25,26)