3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)-sulfanyl-amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)-sulfanyl-amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-(2-nitro-N-sulfanyl-anilino)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-(N-mercapto-2-nitroanilino)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-(2-nitro-N-sulfanylanilino)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(N-mercapto-2-nitro-anilino)propionic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(C(CC2=CC=C(C=C2)O)C(=O)O)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N(C(CC2=CC=C(C=C2)O)C(=O)O)S)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c18-11-7-5-10(6-8-11)9-14(15(19)20)16(23)12-3-1-2-4-13(12)17(21)22/h1-8,14,18,23H,9H2,(H,19,20)