[2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate Traditional Name: 2-[(5-bromo-2-furoyl)amino]acetic acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C16H12BrN3O8 MolecularWeight: 454.18578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O8/c17-12-5-4-11(28-12)16(24)18-7-14(22)27-8-13(21)19-15(23)9-2-1-3-10(6-9)20(25)26/h1-6H,7-8H2,(H,18,24)(H,19,21,23)