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

Systemtic Name: 6-[3-methyl-5-nitro-2-[(E)-2-phenylazanylethenyl]-2H-benzimidazol-1-yl]hexanoic acid Openeye Name: 6-[2-[(E)-2-anilinovinyl]-3-methyl-5-nitro-2H-benzimidazol-1-yl]hexanoic acid CAS Name: 6-[2-[(E)-2-anilinoethenyl]-3-methyl-5-nitro-2H-benzimidazol-1-yl]hexanoic acid IUPAC Name: 6-[2-[(E)-2-anilinoethenyl]-3-methyl-5-nitro-2H-benzimidazol-1-yl]hexanoic acid Traditional Name: 6-[2-[(E)-2-anilinovinyl]-3-methyl-5-nitro-2H-benzimidazol-1-yl]hexanoic acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O)C=CNC3=CC=CC=C3

Isomeric SMILES

CN1C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CCCCCC(=O)O)/C=C/NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4/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/h2,4-5,8-9,11-14,16,21,23H,3,6-7,10,15H2,1H3,(H,27,28)/b14-13+