3-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(4-bromanyl-2-nitro-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(4-bromo-2-nitro-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[(4-bromo-2-nitrophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-bromo-2-nitrophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(4-bromo-2-nitro-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C14H17BrN2O6S MolecularWeight: 421.26358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17BrN2O6S/c1-14(2,3)23-13(20)16-9(12(18)19)7-24-11-5-4-8(15)6-10(11)17(21)22/h4-6,9H,7H2,1-3H3,(H,16,20)(H,18,19)