[2-[(2,6-dinitrophenyl)-ethylsulfonyl-amino]propanoyl-methyl-amino] ethoxysulfanylmethanoate

Systemtic Name: [2-[(2,6-dinitrophenyl)-ethylsulfonyl-amino]propanoyl-methyl-amino] ethoxysulfanylmethanoate Openeye Name: [2-(N-ethylsulfonyl-2,6-dinitro-anilino)propanoyl-methyl-amino] ethoxysulfanylformate CAS Name: (ethoxythio)formic acid [[2-(N-ethylsulfonyl-2,6-dinitroanilino)-1-oxopropyl]-methylamino] ester IUPAC Name: [2-(N-ethylsulfonyl-2,6-dinitroanilino)propanoyl-methylamino] ethoxysulfanylformate Traditional Name: (ethoxythio)formic acid [2-(N-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)N(C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)CC

Isomeric SMILES

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

InChI

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