8-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)octanoic acid

Systemtic Name: 8-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)octanoic acid Openeye Name: 8-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)octanoic acid CAS Name: 8-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)octanoic acid IUPAC Name: 8-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)octanoic acid Traditional Name: 8-(2-keto-5-nitro-1,3-benzoxazol-3-yl)caprylic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)O2)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)O2)CCCCCCCC(=O)O

InChI

InChI=1S/C15H18N2O6/c18-14(19)6-4-2-1-3-5-9-16-12-10-11(17(21)22)7-8-13(12)23-15(16)20/h7-8,10H,1-6,9H2,(H,18,19)