2-(3-carboxyphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid

Systemtic Name: 2-(3-carboxyphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid Openeye Name: 2-(3-carboxyphenyl)-1,3-dioxo-benzo[de]isoquinoline-6,7-dicarboxylic acid CAS Name: 2-(3-carboxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6,7-dicarboxylic acid IUPAC Name: 2-(3-carboxyphenyl)-1,3-dioxobenzo[de]isoquinoline-6,7-dicarboxylic acid Traditional Name: 2-(3-carboxyphenyl)-1,3-diketo-benzo[de]isoquinoline-6,7-dicarboxylic acid Formula: C21H11NO8 MolecularWeight: 405.31394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)C(=O)O)C(=O)O)C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)C(=O)O)C(=O)O)C2=O)C(=O)O

InChI

InChI=1S/C21H11NO8/c23-17-11-4-6-13(20(27)28)16-14(21(29)30)7-5-12(15(11)16)18(24)22(17)10-3-1-2-9(8-10)19(25)26/h1-8H,(H,25,26)(H,27,28)(H,29,30)