2-[[5-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)chromeno[4,3-d]pyrimidin-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)chromeno[4,3-d]pyrimidin-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-oxo-2-(2-oxochromen-3-yl)chromeno[4,3-d]pyrimidin-4-yl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[5-oxo-2-(2-oxo-1-benzopyran-3-yl)-4-[1]benzopyrano[4,3-d]pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 2-[[5-oxo-2-(2-oxochromen-3-yl)chromeno[4,3-d]pyrimidin-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-keto-2-(2-ketochromen-3-yl)chromeno[4,3-d]pyrimidin-4-yl]carbamoyl]benzoic acid Formula: C28H15N3O7 MolecularWeight: 505.4346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(C(=N3)NC(=O)C5=CC=CC=C5C(=O)O)C(=O)OC6=CC=CC=C64

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(C(=N3)NC(=O)C5=CC=CC=C5C(=O)O)C(=O)OC6=CC=CC=C64

InChI

InChI=1S/C28H15N3O7/c32-25(15-8-2-3-9-16(15)26(33)34)31-24-21-22(17-10-4-6-12-20(17)38-28(21)36)29-23(30-24)18-13-14-7-1-5-11-19(14)37-27(18)35/h1-13H,(H,33,34)(H,29,30,31,32)