(5E)-5-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]-5-nitro-pentan-2-one

Systemtic Name: (5E)-5-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]-5-nitro-pentan-2-one Openeye Name: (5E)-5-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]-5-nitro-pentan-2-one CAS Name: (5E)-5-[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-5-nitro-2-pentanone IUPAC Name: (5E)-5-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]-5-nitropentan-2-one Traditional Name: (5E)-5-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]-5-nitro-pentan-2-one Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O3S/c1-10(19)2-4-12(18(20)21)14-17(6-7-22-14)9-11-3-5-13(15)16-8-11/h3,5,8H,2,4,6-7,9H2,1H3/b14-12+