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

Systemtic Name: 2-[(2R)-6-nitro-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2R)-6-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2R)-6-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2R)-6-nitro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2R)-3-keto-6-nitro-4H-1,4-benzoxazin-2-yl]acetic acid Formula: C10H8N2O6 MolecularWeight: 252.18032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(O2)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)[C@H](O2)CC(=O)O

InChI

InChI=1S/C10H8N2O6/c13-9(14)4-8-10(15)11-6-3-5(12(16)17)1-2-7(6)18-8/h1-3,8H,4H2,(H,11,15)(H,13,14)/t8-/m1/s1