2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[7-(trifluoromethyl)-2H-1,4-benzoxazin-3-yl]amino]methylene]malonic acid Formula: C13H9F3N2O5 MolecularWeight: 330.21617

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(O1)C=C(C=C2)C(F)(F)F)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1C(=NC2=C(O1)C=C(C=C2)C(F)(F)F)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H9F3N2O5/c14-13(15,16)6-1-2-8-9(3-6)23-5-10(18-8)17-4-7(11(19)20)12(21)22/h1-4H,5H2,(H,17,18)(H,19,20)(H,21,22)