[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C13H9BrN2O6 MolecularWeight: 369.12436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(O2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=CC=C(O2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O6/c14-11-6-5-10(22-11)13(18)21-7-12(17)15-8-1-3-9(4-2-8)16(19)20/h1-6H,7H2,(H,15,17)