2-[(5-fluoranyl-2-nitro-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[(5-fluoranyl-2-nitro-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid Openeye Name: 2-[(5-fluoro-2-nitro-phenyl)methylcarbamoylamino]-2-methyl-propanoic acid CAS Name: 2-[[[(5-fluoro-2-nitrophenyl)methylamino]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[(5-fluoro-2-nitrophenyl)methylcarbamoylamino]-2-methylpropanoic acid Traditional Name: 2-[(5-fluoro-2-nitro-benzyl)carbamoylamino]-2-methyl-propionic acid Formula: C12H14FN3O5 MolecularWeight: 299.255063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)NCC1=C(C=CC(=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14FN3O5/c1-12(2,10(17)18)15-11(19)14-6-7-5-8(13)3-4-9(7)16(20)21/h3-5H,6H2,1-2H3,(H,17,18)(H2,14,15,19)