(4-nitrophenyl) 2-(1,2-benzoxazol-3-ylmethyl)benzimidazole-1-carboxylate

Systemtic Name: (4-nitrophenyl) 2-(1,2-benzoxazol-3-ylmethyl)benzimidazole-1-carboxylate Openeye Name: (4-nitrophenyl) 2-(1,2-benzoxazol-3-ylmethyl)benzimidazole-1-carboxylate CAS Name: 2-(1,2-benzoxazol-3-ylmethyl)-1-benzimidazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(1,2-benzoxazol-3-ylmethyl)benzimidazole-1-carboxylate Traditional Name: 2-(indoxazen-3-ylmethyl)benzimidazole-1-carboxylic acid (4-nitrophenyl) ester Formula: C22H14N4O5 MolecularWeight: 414.37036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC3=NC4=CC=CC=C4N3C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC3=NC4=CC=CC=C4N3C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O5/c27-22(30-15-11-9-14(10-12-15)26(28)29)25-19-7-3-2-6-17(19)23-21(25)13-18-16-5-1-4-8-20(16)31-24-18/h1-12H,13H2