methyl 2-azanyl-3-(2,4-dinitrophenyl)sulfanyl-propanoate hydrochloride

Systemtic Name: methyl 2-azanyl-3-(2,4-dinitrophenyl)sulfanyl-propanoate hydrochloride Openeye Name: methyl 2-amino-3-(2,4-dinitrophenyl)sulfanyl-propanoate hydrochloride CAS Name: 2-amino-3-[(2,4-dinitrophenyl)thio]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-(2,4-dinitrophenyl)sulfanylpropanoate hydrochloride Traditional Name: 2-amino-3-[(2,4-dinitrophenyl)thio]propionic acid methyl ester hydrochloride Formula: C10H12ClN3O6S MolecularWeight: 337.73678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O6S.ClH/c1-19-10(14)7(11)5-20-9-3-2-6(12(15)16)4-8(9)13(17)18;/h2-4,7H,5,11H2,1H3;1H