2-methyl-3-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid

Systemtic Name: 2-methyl-3-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid Openeye Name: 2-methyl-3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid CAS Name: 2-methyl-3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid IUPAC Name: 2-methyl-3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid Traditional Name: 3-(2-keto-5-nitro-1,3-benzoxazol-3-yl)-2-methyl-propionic acid Formula: C11H10N2O6 MolecularWeight: 266.2069

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)C(=O)O

Isomeric SMILES

CC(CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)C(=O)O

InChI

InChI=1S/C11H10N2O6/c1-6(10(14)15)5-12-8-4-7(13(17)18)2-3-9(8)19-11(12)16/h2-4,6H,5H2,1H3,(H,14,15)