3-(7-nitro-2-oxidanylidene-4H-1,4-benzoxazin-3-ylidene)propanoic acid

Systemtic Name: 3-(7-nitro-2-oxidanylidene-4H-1,4-benzoxazin-3-ylidene)propanoic acid Openeye Name: 3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid CAS Name: 3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid IUPAC Name: 3-(7-nitro-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid Traditional Name: 3-(2-keto-7-nitro-4H-1,4-benzoxazin-3-ylidene)propionic acid Formula: C11H8N2O6 MolecularWeight: 264.19102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)C(=CCC(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)C(=CCC(=O)O)N2

InChI

InChI=1S/C11H8N2O6/c14-10(15)4-3-8-11(16)19-9-5-6(13(17)18)1-2-7(9)12-8/h1-3,5,12H,4H2,(H,14,15)