tert-butyl 2-[2-iodanylethanoyl-(4-nitrophenyl)amino]propanoate

Systemtic Name: tert-butyl 2-[2-iodanylethanoyl-(4-nitrophenyl)amino]propanoate Openeye Name: tert-butyl 2-(N-(2-iodoacetyl)-4-nitro-anilino)propanoate CAS Name: 2-(N-(2-iodo-1-oxoethyl)-4-nitroanilino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(N-(2-iodoacetyl)-4-nitroanilino)propanoate Traditional Name: 2-(N-(2-iodoacetyl)-4-nitro-anilino)propionic acid tert-butyl ester Formula: C15H19IN2O5 MolecularWeight: 434.22623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19IN2O5/c1-10(14(20)23-15(2,3)4)17(13(19)9-16)11-5-7-12(8-6-11)18(21)22/h5-8,10H,9H2,1-4H3