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

Systemtic Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)acetic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-12(2)7-13(6-11(15)16)9-5-8(14(17)18)3-4-10(9)19-12/h3-5H,6-7H2,1-2H3,(H,15,16)