[4-[4-(bromomethyl)-3-nitro-phenyl]carbonyloxy-4-oxidanylidene-butanimidoyl] 4-(bromomethyl)-3-nitro-benzoate

Systemtic Name: [4-[4-(bromomethyl)-3-nitro-phenyl]carbonyloxy-4-oxidanylidene-butanimidoyl] 4-(bromomethyl)-3-nitro-benzoate Openeye Name: [4-[4-(bromomethyl)-3-nitro-benzoyl]oxy-4-oxo-butanimidoyl] 4-(bromomethyl)-3-nitro-benzoate CAS Name: 4-(bromomethyl)-3-nitrobenzoic acid [4-[[4-(bromomethyl)-3-nitrophenyl]-oxomethoxy]-1-imino-4-oxobutyl] ester IUPAC Name: [4-[4-(bromomethyl)-3-nitrobenzoyl]oxy-4-oxobutanimidoyl] 4-(bromomethyl)-3-nitrobenzoate Traditional Name: 4-(bromomethyl)-3-nitro-benzoic acid [4-[4-(bromomethyl)-3-nitro-benzoyl]oxy-4-keto-butanimidoyl] ester Formula: C20H15Br2N3O9 MolecularWeight: 601.1558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])[N+](=O)[O-])CBr

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CC(=C(C=C2)CBr)[N+](=O)[O-])[N+](=O)[O-])CBr

InChI

InChI=1S/C20H15Br2N3O9/c21-9-13-3-1-11(7-15(13)24(29)30)19(27)33-17(23)5-6-18(26)34-20(28)12-2-4-14(10-22)16(8-12)25(31)32/h1-4,7-8,23H,5-6,9-10H2