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

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

Systemtic Name:2-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
Openeye Name:2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CAS Name:2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
IUPAC Name:2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Traditional Name:2-(2-keto-5-nitro-1,3-benzoxazol-3-yl)propionic acid
Formula: C10H8N2O6
MolecularWeight: 252.18032
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O


Isomeric SMILES

CC(C(=O)O)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O


InChI

InChI=1S/C10H8N2O6/c1-5(9(13)14)11-7-4-6(12(16)17)2-3-8(7)18-10(11)15/h2-5H,1H3,(H,13,14)


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