(phenylmethyl) 2-[(2,4-dinitrophenyl)sulfanylamino]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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