3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-5-oxidanylidene-4-propan-2-yloxycarbonyl-hexanoic acid

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-5-oxidanylidene-4-propan-2-yloxycarbonyl-hexanoic acid Openeye Name: 3-(2,1,3-benzoxadiazol-4-yl)-4-isopropoxycarbonyl-2-nitro-5-oxo-hexanoic acid CAS Name: 3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-5-oxo-4-[oxo(propan-2-yloxy)methyl]hexanoic acid IUPAC Name: 3-(2,1,3-benzoxadiazol-4-yl)-2-nitro-5-oxo-4-propan-2-yloxycarbonylhexanoic acid Traditional Name: 3-benzofurazan-4-yl-4-isopropoxycarbonyl-5-keto-2-nitro-hexanoic acid Formula: C16H17N3O8 MolecularWeight: 379.32148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(C1=CC=CC2=NON=C21)C(C(=O)O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)OC(=O)C(C(C1=CC=CC2=NON=C21)C(C(=O)O)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H17N3O8/c1-7(2)26-16(23)11(8(3)20)12(14(15(21)22)19(24)25)9-5-4-6-10-13(9)18-27-17-10/h4-7,11-12,14H,1-3H3,(H,21,22)