(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C14H12ClN3O4S MolecularWeight: 353.78078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H12ClN3O4S/c1-9(23-13-4-2-3-7-17(13)20)14(19)16-12-6-5-10(18(21)22)8-11(12)15/h2-9H,1H3,(H,16,19)/t9-/m1/s1