2-[(2R)-2-ethyl-7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[(2R)-2-ethyl-7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[(2R)-2-ethyl-7-nitro-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-2-ethyl-7-nitro-3-oxo-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[(2R)-2-ethyl-7-nitro-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-2-ethyl-3-keto-7-nitro-1,4-benzoxazin-4-yl]acetate Formula: C12H11N2O6- MolecularWeight: 279.22554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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