1H-benzimidazol-2-ylmethyl 3-nitrobenzoate

Systemtic Name: 1H-benzimidazol-2-ylmethyl 3-nitrobenzoate Openeye Name: 1H-benzimidazol-2-ylmethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 1H-benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylmethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1H-benzimidazol-2-ylmethyl ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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