(1E)-1-[3-(6-chloranylpyridin-3-yl)-1,3-thiazolidin-2-ylidene]-1-nitro-pentan-2-one

Systemtic Name: (1E)-1-[3-(6-chloranylpyridin-3-yl)-1,3-thiazolidin-2-ylidene]-1-nitro-pentan-2-one Openeye Name: (1E)-1-[3-(6-chloro-3-pyridyl)thiazolidin-2-ylidene]-1-nitro-pentan-2-one CAS Name: (1E)-1-[3-(6-chloro-3-pyridinyl)-2-thiazolidinylidene]-1-nitro-2-pentanone IUPAC Name: (1E)-1-[3-(6-chloropyridin-3-yl)-1,3-thiazolidin-2-ylidene]-1-nitropentan-2-one Traditional Name: (1E)-1-[3-(6-chloro-3-pyridyl)thiazolidin-2-ylidene]-1-nitro-pentan-2-one Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C1N(CCS1)C2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)/C(=C\1/N(CCS1)C2=CN=C(C=C2)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O3S/c1-2-3-10(18)12(17(19)20)13-16(6-7-21-13)9-4-5-11(14)15-8-9/h4-5,8H,2-3,6-7H2,1H3/b13-12+