4-chloranyl-3-[5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[5-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[5-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C16H9ClN2O6 MolecularWeight: 360.70546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)Cl

InChI

InChI=1S/C16H9ClN2O6/c17-11-3-1-7(15(22)23)5-9(11)12-4-2-8(25-12)6-10-13(20)18-16(24)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,24)