dimethyl 2-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate

Systemtic Name: dimethyl 2-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate Openeye Name: dimethyl 2-[(2-chlorothiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate CAS Name: 2-[(2-chloro-5-thiazolyl)methyl]-2-(2,4-dinitrophenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)propanedioate Traditional Name: 2-[(2-chlorothiazol-5-yl)methyl]-2-(2,4-dinitrophenyl)malonic acid dimethyl ester Formula: C15H12ClN3O8S MolecularWeight: 429.78908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O8S/c1-26-12(20)15(13(21)27-2,6-9-7-17-14(16)28-9)10-4-3-8(18(22)23)5-11(10)19(24)25/h3-5,7H,6H2,1-2H3