methyl 3-(5-nitropyridin-2-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-nitropyridin-2-yl)sulfanylpropanoate Openeye Name: methyl 3-[(5-nitro-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(5-nitro-2-pyridinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-nitropyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(5-nitro-2-pyridyl)thio]propionic acid methyl ester Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O4S/c1-15-9(12)4-5-16-8-3-2-7(6-10-8)11(13)14/h2-3,6H,4-5H2,1H3