2-(4-methoxy-2-nitro-phenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: 2-(4-methoxy-2-nitro-phenyl)sulfanylpyridine-3-carboxylate Openeye Name: 2-(4-methoxy-2-nitro-phenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-methoxy-2-nitrophenyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(4-methoxy-2-nitrophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)thio]nicotinate Formula: C13H9N2O5S- MolecularWeight: 305.28596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5S/c1-20-8-4-5-11(10(7-8)15(18)19)21-12-9(13(16)17)3-2-6-14-12/h2-7H,1H3,(H,16,17)/p-1