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

Systemtic Name: 2-(4-bromanyl-2-nitro-phenyl)sulfanylpyridine-3-carboxylate Openeye Name: 2-(4-bromo-2-nitro-phenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-bromo-2-nitrophenyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(4-bromo-2-nitrophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-bromo-2-nitro-phenyl)thio]nicotinate Formula: C12H6BrN2O4S- MolecularWeight: 354.15604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7BrN2O4S/c13-7-3-4-10(9(6-7)15(18)19)20-11-8(12(16)17)2-1-5-14-11/h1-6H,(H,16,17)/p-1