4-azanyl-2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-fluoro-5-nitro-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(2-fluoro-5-nitrophenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(2-fluoro-5-nitro-benzoyl)amino]-4-keto-butyric acid Formula: C11H10FN3O6 MolecularWeight: 299.212003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10FN3O6/c12-7-2-1-5(15(20)21)3-6(7)10(17)14-8(11(18)19)4-9(13)16/h1-3,8H,4H2,(H2,13,16)(H,14,17)(H,18,19)