methyl 3-(2-azanyl-4,6-dinitro-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-azanyl-4,6-dinitro-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-amino-4,6-dinitro-phenyl)sulfanylpropanoate CAS Name: 3-[(2-amino-4,6-dinitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4,6-dinitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-amino-4,6-dinitro-phenyl)thio]propionic acid methyl ester Formula: C10H11N3O6S MolecularWeight: 301.27584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O6S/c1-19-9(14)2-3-20-10-7(11)4-6(12(15)16)5-8(10)13(17)18/h4-5H,2-3,11H2,1H3