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

Systemtic Name: 3-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid Openeye Name: 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid CAS Name: 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid IUPAC Name: 3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid Traditional Name: 3-(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:

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

Isomeric SMILES

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

InChI

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