dimethyl 2-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate

Systemtic Name: dimethyl 2-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate Openeye Name: dimethyl 2-[(2-chlorothiazol-5-yl)methyl]-2-(5-nitro-2-pyridyl)propanedioate CAS Name: 2-[(2-chloro-5-thiazolyl)methyl]-2-(5-nitro-2-pyridinyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitropyridin-2-yl)propanedioate Traditional Name: 2-[(2-chlorothiazol-5-yl)methyl]-2-(5-nitro-2-pyridyl)malonic acid dimethyl ester Formula: C14H12ClN3O6S MolecularWeight: 385.77958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=C(S1)Cl)(C2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(CC1=CN=C(S1)Cl)(C2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H12ClN3O6S/c1-23-11(19)14(12(20)24-2,5-9-7-17-13(15)25-9)10-4-3-8(6-16-10)18(21)22/h3-4,6-7H,5H2,1-2H3