methyl 2-(4-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-carbamoyl-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-carbamoyl-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(4-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(=C(C(=C1)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

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