3-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]sulfonylamino]benzoate

Systemtic Name: 3-[[4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]sulfonylamino]benzoate Openeye Name: 3-[[4-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoate CAS Name: 3-[[4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoate IUPAC Name: 3-[[4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoate Traditional Name: 3-[[3-keto-4-(2-keto-2-oxido-ethyl)-1,4-benzoxazin-6-yl]sulfonylamino]benzoate Formula: C17H12N2O8S-2 MolecularWeight: 404.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C17H14N2O8S/c20-15-9-27-14-5-4-12(7-13(14)19(15)8-16(21)22)28(25,26)18-11-3-1-2-10(6-11)17(23)24/h1-7,18H,8-9H2,(H,21,22)(H,23,24)/p-2