[2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] 2,2-dimethylpropanoate Openeye Name: [2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] ester IUPAC Name: [2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-methoxy-6-nitro-4-(6-nitro-1H-benzimidazol-2-yl)phenyl] ester Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1OC)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1OC)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7/c1-19(2,3)18(24)30-16-14(23(27)28)7-10(8-15(16)29-4)17-20-12-6-5-11(22(25)26)9-13(12)21-17/h5-9H,1-4H3,(H,20,21)