4-[(2-fluoranyl-5-nitro-phenyl)carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-fluoranyl-5-nitro-phenyl)carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-fluoro-5-nitro-phenyl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[(2-fluoro-5-nitroanilino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-fluoro-5-nitrophenyl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(2-fluoro-5-nitro-phenyl)carbamoyl-methyl-amino]butyric acid Formula: C12H14FN3O5 MolecularWeight: 299.255063

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C12H14FN3O5/c1-15(6-2-3-11(17)18)12(19)14-10-7-8(16(20)21)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,14,19)(H,17,18)