[(1R)-1-(1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate Openeye Name: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-(1H-benzimidazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-(1H-benzimidazol-2-yl)ethyl] ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-10(15-17-13-4-2-3-5-14(13)18-15)23-16(20)11-6-8-12(9-7-11)19(21)22/h2-10H,1H3,(H,17,18)/t10-/m1/s1