2-azanyl-3-[2-(2-nitrophenyl)sulfanyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-nitrophenyl)sulfanyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-(2-nitrophenyl)sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-hydroxy-2-[(2-nitrophenyl)thio]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-(2-nitrophenyl)sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-hydroxy-2-[(2-nitrophenyl)thio]phenyl]propionic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c16-11(15(19)20)7-9-5-6-10(18)8-14(9)23-13-4-2-1-3-12(13)17(21)22/h1-6,8,11,18H,7,16H2,(H,19,20)