[2,6-bis(bromanyl)-4-methyl-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-methyl-phenyl] 3,5-dinitrobenzoate Openeye Name: (2,6-dibromo-4-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,6-dibromo-4-methylphenyl) ester IUPAC Name: (2,6-dibromo-4-methylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,6-dibromo-4-methyl-phenyl) ester Formula: C14H8Br2N2O6 MolecularWeight: 460.03112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H8Br2N2O6/c1-7-2-11(15)13(12(16)3-7)24-14(19)8-4-9(17(20)21)6-10(5-8)18(22)23/h2-6H,1H3