[1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O6/c1-11-5-4-6-12(2)18(11)23-17(25)10-22-19(26)13(3)30-20(27)14-7-8-15(21)16(9-14)24(28)29/h4-9,13H,10H2,1-3H3,(H,22,26)(H,23,25)