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

Systemtic Name: methyl 3-(3-nitropyridin-2-yl)sulfanylpropanoate Openeye Name: methyl 3-[(3-nitro-2-pyridyl)sulfanyl]propanoate CAS Name: 3-[(3-nitro-2-pyridinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3-nitropyridin-2-yl)sulfanylpropanoate Traditional Name: 3-[(3-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=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=CC=N1)[N+](=O)[O-]

InChI

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