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

Systemtic Name: nitro (2E)-2-[3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]butanoate Openeye Name: nitro (2E)-2-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]butanoate CAS Name: (2E)-2-[3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]butanoic acid nitro ester IUPAC Name: nitro (2E)-2-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]butanoate Traditional Name: (2E)-2-[3-[(6-chloro-3-pyridyl)methyl]thiazolidin-2-ylidene]butyric acid nitro ester Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O4S/c1-2-10(13(18)21-17(19)20)12-16(5-6-22-12)8-9-3-4-11(14)15-7-9/h3-4,7H,2,5-6,8H2,1H3/b12-10+