[(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate Openeye Name: [(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] ester Formula: C16H12N4O6 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6/c1-9(26-16(21)10-2-4-11(5-3-10)19(22)23)15-17-13-7-6-12(20(24)25)8-14(13)18-15/h2-9H,1H3,(H,17,18)/t9-/m1/s1