methyl 2-[2-(2,2-dimethylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,2-dimethylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,2-dimethylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2,2-dimethyl-1-oxopropyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,2-dimethylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5-nitro-2-pivaloylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C15H17N3O5S/c1-15(2,3)13(20)16-14-17(8-12(19)23-4)10-7-9(18(21)22)5-6-11(10)24-14/h5-7H,8H2,1-4H3