1-(2,4-dinitroimidazol-1-yl)butan-2-yl benzoate

Systemtic Name: 1-(2,4-dinitroimidazol-1-yl)butan-2-yl benzoate Openeye Name: 1-[(2,4-dinitroimidazol-1-yl)methyl]propyl benzoate CAS Name: benzoic acid 1-(2,4-dinitro-1-imidazolyl)butan-2-yl ester IUPAC Name: 1-(2,4-dinitroimidazol-1-yl)butan-2-yl benzoate Traditional Name: benzoic acid 1-[(2,4-dinitroimidazol-1-yl)methyl]propyl ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(CN1C=C(N=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4O6/c1-2-11(24-13(19)10-6-4-3-5-7-10)8-16-9-12(17(20)21)15-14(16)18(22)23/h3-7,9,11H,2,8H2,1H3