4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-5H-1,3-oxazole

Systemtic Name: 4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-5H-1,3-oxazole Openeye Name: 4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-5H-oxazole CAS Name: 4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-5H-oxazole IUPAC Name: 4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-5H-1,3-oxazole Traditional Name: 4,4-dimethyl-2-[(6-nitro-1,3-benzothiazol-7-yl)methyl]-2-oxazoline Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=N1)CC2=C(C=CC3=C2SC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1(COC(=N1)CC2=C(C=CC3=C2SC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O3S/c1-13(2)6-19-11(15-13)5-8-10(16(17)18)4-3-9-12(8)20-7-14-9/h3-4,7H,5-6H2,1-2H3