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

Systemtic Name: (1E)-1-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]-1-nitro-pentan-2-one Openeye Name: (1E)-1-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]-1-nitro-pentan-2-one CAS Name: (1E)-1-[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-1-nitro-2-pentanone IUPAC Name: (1E)-1-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]-1-nitropentan-2-one Traditional Name: (1E)-1-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]-1-nitro-pentan-2-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=C1N(CCS1)CC2=CN=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)/C(=C\1/N(CCS1)CC2=CN=C(C=C2)Cl)/[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3S/c1-2-3-11(19)13(18(20)21)14-17(6-7-22-14)9-10-4-5-12(15)16-8-10/h4-5,8H,2-3,6-7,9H2,1H3/b14-13+