5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]oxy]-2-benzofuran-1,3-dione; 2,3-diaminocarbonyl-4-azanyl-benzoic acid

Systemtic Name: 5-[[1,3-bis(oxidanylidene)-2-benzofuran-5-yl]oxy]-2-benzofuran-1,3-dione; 2,3-diaminocarbonyl-4-azanyl-benzoic acid Openeye Name: 4-amino-2,3-dicarbamoyl-benzoic acid; 5-(1,3-dioxoisobenzofuran-5-yl)oxyisobenzofuran-1,3-dione CAS Name: 4-amino-2,3-dicarbamoylbenzoic acid; 5-[(1,3-dioxo-5-isobenzofuranyl)oxy]isobenzofuran-1,3-dione IUPAC Name: 4-amino-2,3-dicarbamoylbenzoic acid; 5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione Traditional Name: 4-amino-2,3-dicarbamoyl-benzoic acid; 5-(1,3-diketophthalan-5-yl)oxyphthalan-1,3-quinone Formula: C25H15N3O11 MolecularWeight: 533.4001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O.C1=CC(=C(C(=C1C(=O)O)C(=O)N)C(=O)N)N

Isomeric SMILES

C1=CC2=C(C=C1OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O.C1=CC(=C(C(=C1C(=O)O)C(=O)N)C(=O)N)N

InChI

InChI=1S/C16H6O7.C9H9N3O4/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;10-4-2-1-3(9(15)16)5(7(11)13)6(4)8(12)14/h1-6H;1-2H,10H2,(H2,11,13)(H2,12,14)(H,15,16)