(phenylmethyl) 3,5-bis(bromanyl)-2,6-dinitro-benzoate

Systemtic Name: (phenylmethyl) 3,5-bis(bromanyl)-2,6-dinitro-benzoate Openeye Name: benzyl 3,5-dibromo-2,6-dinitro-benzoate CAS Name: 3,5-dibromo-2,6-dinitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dibromo-2,6-dinitrobenzoate Traditional Name: 3,5-dibromo-2,6-dinitro-benzoic acid benzyl ester Formula: C14H8Br2N2O6 MolecularWeight: 460.03112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C(=CC(=C2[N+](=O)[O-])Br)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C(=CC(=C2[N+](=O)[O-])Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H8Br2N2O6/c15-9-6-10(16)13(18(22)23)11(12(9)17(20)21)14(19)24-7-8-4-2-1-3-5-8/h1-6H,7H2