tert-butyl 3-[(2-fluoranyl-5-nitro-phenyl)methylamino]propanoate

Systemtic Name: tert-butyl 3-[(2-fluoranyl-5-nitro-phenyl)methylamino]propanoate Openeye Name: tert-butyl 3-[(2-fluoro-5-nitro-phenyl)methylamino]propanoate CAS Name: 3-[(2-fluoro-5-nitrophenyl)methylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-fluoro-5-nitrophenyl)methylamino]propanoate Traditional Name: 3-[(2-fluoro-5-nitro-benzyl)amino]propionic acid tert-butyl ester Formula: C14H19FN2O4 MolecularWeight: 298.310063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNCC1=C(C=CC(=C1)[N+](=O)[O-])F

Isomeric SMILES

CC(C)(C)OC(=O)CCNCC1=C(C=CC(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C14H19FN2O4/c1-14(2,3)21-13(18)6-7-16-9-10-8-11(17(19)20)4-5-12(10)15/h4-5,8,16H,6-7,9H2,1-3H3