4-azanyl-2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-bromo-3-nitro-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-bromo-3-nitrobenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-bromo-3-nitro-benzoyl)amino]-4-keto-butyric acid Formula: C11H10BrN3O6 MolecularWeight: 360.1176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(CC(=O)N)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C11H10BrN3O6/c12-6-2-1-5(3-8(6)15(20)21)10(17)14-7(11(18)19)4-9(13)16/h1-3,7H,4H2,(H2,13,16)(H,14,17)(H,18,19)