2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(2,4-dinitrophenyl)sulfanyl-amino]acetic acid CAS Name: 2-[[(2,4-dinitrophenyl)thio]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(2,4-dinitrophenyl)sulfanylamino]acetic acid Traditional Name: 2-[benzyl-[(2,4-dinitrophenyl)thio]amino]acetic acid Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6S/c19-15(20)10-16(9-11-4-2-1-3-5-11)25-14-7-6-12(17(21)22)8-13(14)18(23)24/h1-8H,9-10H2,(H,19,20)