methyl 2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-carbamoyl-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(2-carbamoyl-3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-carbamoyl-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2-carbamoyl-3,5-dinitro-phenyl)thio]acetic acid methyl ester Formula: C10H9N3O7S MolecularWeight: 315.25936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC(=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC(=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O7S/c1-20-8(14)4-21-7-3-5(12(16)17)2-6(13(18)19)9(7)10(11)15/h2-3H,4H2,1H3,(H2,11,15)