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

Systemtic Name: 5-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)pentanoic acid Openeye Name: 5-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanoic acid CAS Name: 5-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanoic acid IUPAC Name: 5-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)pentanoic acid Traditional Name: 5-(2-keto-5-nitro-1,3-benzoxazol-3-yl)valeric acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6/c15-11(16)3-1-2-6-13-9-7-8(14(18)19)4-5-10(9)20-12(13)17/h4-5,7H,1-3,6H2,(H,15,16)