diethyl 2-(7-methyl-5-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate

Systemtic Name: diethyl 2-(7-methyl-5-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: diethyl 2-(7-methyl-5-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(7-methyl-5-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(7-methyl-5-nitro-2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-7-methyl-5-nitro-1,3-benzothiazol-3-yl)malonic acid diethyl ester Formula: C15H16N2O7S MolecularWeight: 368.36174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C2=C(C(=CC(=C2)[N+](=O)[O-])C)SC1=O

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C2=C(C(=CC(=C2)[N+](=O)[O-])C)SC1=O

InChI

InChI=1S/C15H16N2O7S/c1-4-23-13(18)11(14(19)24-5-2)16-10-7-9(17(21)22)6-8(3)12(10)25-15(16)20/h6-7,11H,4-5H2,1-3H3