3-[[4-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid CAS Name: 3-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-(carboxymethyl)-3-oxo-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-(carboxymethyl)-3-keto-1,4-benzoxazin-6-yl]sulfonylamino]benzoic acid Formula: C17H14N2O8S MolecularWeight: 406.36666

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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)