[2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[[2-(dimethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[[2-(dimethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C13H14BrN3O6 MolecularWeight: 388.17076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrN3O6/c1-16(2)12(19)6-15-11(18)7-23-13(20)8-3-4-9(14)10(5-8)17(21)22/h3-5H,6-7H2,1-2H3,(H,15,18)