2-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(2,2-dimethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(2,2-dimethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(3-keto-2,2-dimethyl-6-nitro-1,4-benzoxazin-4-yl)acetic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O)C

InChI

InChI=1S/C12H12N2O6/c1-12(2)11(17)13(6-10(15)16)8-5-7(14(18)19)3-4-9(8)20-12/h3-5H,6H2,1-2H3,(H,15,16)