[2-[(4-ethylsulfonyl-2,6-dinitro-phenyl)amino]propanoyl-methyl-amino] ethoxysulfanylmethanoate

Systemtic Name: [2-[(4-ethylsulfonyl-2,6-dinitro-phenyl)amino]propanoyl-methyl-amino] ethoxysulfanylmethanoate Openeye Name: [2-(4-ethylsulfonyl-2,6-dinitro-anilino)propanoyl-methyl-amino] ethoxysulfanylformate CAS Name: (ethoxythio)formic acid [[2-(4-ethylsulfonyl-2,6-dinitroanilino)-1-oxopropyl]-methylamino] ester IUPAC Name: [2-(4-ethylsulfonyl-2,6-dinitroanilino)propanoyl-methylamino] ethoxysulfanylformate Traditional Name: (ethoxythio)formic acid [2-(4-esyl-2,6-dinitro-anilino)propanoyl-methyl-amino] ester Formula: C15H20N4O10S2 MolecularWeight: 480.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)ON(C)C(=O)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCOSC(=O)ON(C)C(=O)C(C)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O10S2/c1-5-28-30-15(21)29-17(4)14(20)9(3)16-13-11(18(22)23)7-10(31(26,27)6-2)8-12(13)19(24)25/h7-9,16H,5-6H2,1-4H3