6-[[6-carboxy-1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonylcarbamoylcarbamoyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid

Systemtic Name: 6-[[6-carboxy-1,3-bis(oxidanylidene)-2-benzofuran-5-yl]carbonylcarbamoylcarbamoyl]-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid Openeye Name: 6-[(6-carboxy-1,3-dioxo-isobenzofuran-5-carbonyl)carbamoylcarbamoyl]-1,3-dioxo-isobenzofuran-5-carboxylic acid CAS Name: 6-[[[[[(6-carboxy-1,3-dioxo-5-isobenzofuranyl)-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-1,3-dioxo-5-isobenzofurancarboxylic acid IUPAC Name: 6-[(6-carboxy-1,3-dioxo-2-benzofuran-5-carbonyl)carbamoylcarbamoyl]-1,3-dioxo-2-benzofuran-5-carboxylic acid Traditional Name: 6-[(6-carboxy-1,3-diketo-phthalan-5-carbonyl)carbamoylcarbamoyl]-1,3-diketo-phthalan-5-carboxylic acid Formula: C21H8N2O13 MolecularWeight: 496.29382

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1C(=O)NC(=O)NC(=O)C3=C(C=C4C(=C3)C(=O)OC4=O)C(=O)O)C(=O)O)C(=O)OC2=O

Isomeric SMILES

C1=C2C(=CC(=C1C(=O)NC(=O)NC(=O)C3=C(C=C4C(=C3)C(=O)OC4=O)C(=O)O)C(=O)O)C(=O)OC2=O

InChI

InChI=1S/C21H8N2O13/c24-13(5-1-9-11(3-7(5)15(26)27)19(32)35-17(9)30)22-21(34)23-14(25)6-2-10-12(4-8(6)16(28)29)20(33)36-18(10)31/h1-4H,(H,26,27)(H,28,29)(H2,22,23,24,25,34)