2-[(2R)-2-ethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H12N2O6/c1-2-9-12(17)13(6-11(15)16)8-5-7(14(18)19)3-4-10(8)20-9/h3-5,9H,2,6H2,1H3,(H,15,16)/t9-/m1/s1