4-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid

Systemtic Name: 4-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid CAS Name: 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid IUPAC Name: 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: 4-(3-keto-6-nitro-1,4-benzoxazin-4-yl)butyric acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C12H12N2O6/c15-11-7-20-10-4-3-8(14(18)19)6-9(10)13(11)5-1-2-12(16)17/h3-4,6H,1-2,5,7H2,(H,16,17)