2-azanyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(2-nitrophenyl)sulfanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(2-nitrophenyl)sulfanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-tert-butoxy-2-(2-nitrophenyl)sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)thio]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[(2-methylpropan-2-yl)oxy]-2-(2-nitrophenyl)sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-tert-butoxy-2-[(2-nitrophenyl)thio]phenyl]propionic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=C(C=C1)CC(C(=O)O)N)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC(=C(C=C1)CC(C(=O)O)N)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O5S/c1-19(2,3)26-13-9-8-12(10-14(20)18(22)23)17(11-13)27-16-7-5-4-6-15(16)21(24)25/h4-9,11,14H,10,20H2,1-3H3,(H,22,23)