[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C13H15BrN2O5/c1-13(2,3)12(18)21-7-11(17)15-10-5-4-8(16(19)20)6-9(10)14/h4-6H,7H2,1-3H3,(H,15,17)