3-[3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-6-yl]propanoic acid

Systemtic Name: 3-[3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-6-yl]propanoic acid Openeye Name: 3-[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]propanoic acid CAS Name: 3-[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]propanoic acid IUPAC Name: 3-[3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-6-yl]propanoic acid Traditional Name: 3-[4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-6-yl]propionic acid Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C=CC(=C2)CCC(=O)O)CCO[N+](=O)[O-]

Isomeric SMILES

C1N(C(=O)C2=C(O1)C=CC(=C2)CCC(=O)O)CCO[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O7/c16-12(17)4-2-9-1-3-11-10(7-9)13(18)14(8-21-11)5-6-22-15(19)20/h1,3,7H,2,4-6,8H2,(H,16,17)