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

Systemtic Name: 2-(2-cyano-4-nitro-phenyl)sulfanylpyridine-3-carboxylate Openeye Name: 2-(2-cyano-4-nitro-phenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-cyano-4-nitrophenyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(2-cyano-4-nitrophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-cyano-4-nitro-phenyl)thio]nicotinate Formula: C13H6N3O4S- MolecularWeight: 300.26944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)[O-]

InChI

InChI=1S/C13H7N3O4S/c14-7-8-6-9(16(19)20)3-4-11(8)21-12-10(13(17)18)2-1-5-15-12/h1-6H,(H,17,18)/p-1