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

Systemtic Name: [(2R)-4-(6-nitro-1H-benzimidazol-2-yl)butan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-methyl-3-(6-nitro-1H-benzimidazol-2-yl)propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-4-(6-nitro-1H-benzimidazol-2-yl)butan-2-yl] ester IUPAC Name: [(2R)-4-(6-nitro-1H-benzimidazol-2-yl)butan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-methyl-3-(6-nitro-1H-benzimidazol-2-yl)propyl] ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=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](CCC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6/c1-11(28-18(23)12-3-5-13(6-4-12)21(24)25)2-9-17-19-15-8-7-14(22(26)27)10-16(15)20-17/h3-8,10-11H,2,9H2,1H3,(H,19,20)/t11-/m1/s1