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

Systemtic Name: 3-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid CAS Name: 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid IUPAC Name: 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: 3-(3-keto-6-nitro-1,4-benzoxazin-4-yl)propionic acid Formula: C11H10N2O6 MolecularWeight: 266.2069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O6/c14-10-6-19-9-2-1-7(13(17)18)5-8(9)12(10)4-3-11(15)16/h1-2,5H,3-4,6H2,(H,15,16)