tert-butyl 3-[2-azanylethanoyl-[(2-fluoranyl-5-nitro-phenyl)methyl]amino]propanoate

Systemtic Name: tert-butyl 3-[2-azanylethanoyl-[(2-fluoranyl-5-nitro-phenyl)methyl]amino]propanoate Openeye Name: tert-butyl 3-[(2-aminoacetyl)-[(2-fluoro-5-nitro-phenyl)methyl]amino]propanoate CAS Name: 3-[(2-amino-1-oxoethyl)-[(2-fluoro-5-nitrophenyl)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-aminoacetyl)-[(2-fluoro-5-nitrophenyl)methyl]amino]propanoate Traditional Name: 3-[(2-fluoro-5-nitro-benzyl)-glycyl-amino]propionic acid tert-butyl ester Formula: C16H22FN3O5 MolecularWeight: 355.361383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN(CC1=C(C=CC(=C1)[N+](=O)[O-])F)C(=O)CN

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CC1=C(C=CC(=C1)[N+](=O)[O-])F)C(=O)CN

InChI

InChI=1S/C16H22FN3O5/c1-16(2,3)25-15(22)6-7-19(14(21)9-18)10-11-8-12(20(23)24)4-5-13(11)17/h4-5,8H,6-7,9-10,18H2,1-3H3