methyl 3-(4-methanoyl-2-nitro-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-methanoyl-2-nitro-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(4-formyl-2-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[(4-formyl-2-nitrophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-formyl-2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-formyl-2-nitro-phenyl)thio]propionic acid methyl ester Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C=O)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5S/c1-17-11(14)4-5-18-10-3-2-8(7-13)6-9(10)12(15)16/h2-3,6-7H,4-5H2,1H3