4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate

Systemtic Name: 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate Openeye Name: 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate CAS Name: 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate IUPAC Name: 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate Traditional Name: 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate Formula: C15H10N3O4- MolecularWeight: 296.2576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H11N3O4/c19-15(20)10-3-1-9(2-4-10)7-14-16-12-6-5-11(18(21)22)8-13(12)17-14/h1-6,8H,7H2,(H,16,17)(H,19,20)/p-1