6-[3-methyl-5-nitro-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[3-methyl-5-nitro-2-[(E)-2-phenylazanylethenyl]benzimidazol-1-ium-1-yl]hexanoic acid Openeye Name: 6-[2-[(E)-2-anilinovinyl]-3-methyl-5-nitro-benzimidazol-1-ium-1-yl]hexanoic acid CAS Name: 6-[2-[(E)-2-anilinoethenyl]-3-methyl-5-nitro-1-benzimidazol-1-iumyl]hexanoic acid IUPAC Name: 6-[2-[(E)-2-anilinoethenyl]-3-methyl-5-nitrobenzimidazol-1-ium-1-yl]hexanoic acid Traditional Name: 6-[2-[(E)-2-anilinovinyl]-3-methyl-5-nitro-benzimidazol-1-ium-1-yl]hexanoic acid Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1C=CNC3=CC=CC=C3)CCCCCC(=O)O

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1/C=C/NC3=CC=CC=C3)CCCCCC(=O)O

InChI

InChI=1S/C22H24N4O4/c1-24-20-16-18(26(29)30)11-12-19(20)25(15-7-3-6-10-22(27)28)21(24)13-14-23-17-8-4-2-5-9-17/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,27,28)/p+1