4-(3-chloranylpyrazin-2-yl)sulfanyl-2-methoxy-5-nitro-benzoate

Systemtic Name: 4-(3-chloranylpyrazin-2-yl)sulfanyl-2-methoxy-5-nitro-benzoate Openeye Name: 4-(3-chloropyrazin-2-yl)sulfanyl-2-methoxy-5-nitro-benzoate CAS Name: 4-[(3-chloro-2-pyrazinyl)thio]-2-methoxy-5-nitrobenzoate IUPAC Name: 4-(3-chloropyrazin-2-yl)sulfanyl-2-methoxy-5-nitrobenzoate Traditional Name: 4-[(3-chloropyrazin-2-yl)thio]-2-methoxy-5-nitro-benzoate Formula: C12H7ClN3O5S- MolecularWeight: 340.71908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=NC=CN=C2Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SC2=NC=CN=C2Cl

InChI

InChI=1S/C12H8ClN3O5S/c1-21-8-5-9(22-11-10(13)14-2-3-15-11)7(16(19)20)4-6(8)12(17)18/h2-5H,1H3,(H,17,18)/p-1