3-[3-(1-benzofuran-2-yl)-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(benzofuran-2-yl)-4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(2-benzofuranyl)-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(1-benzofuran-2-yl)-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(benzofuran-2-yl)-4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]pyrazol-1-yl]propionic acid Formula: C19H14N4O6 MolecularWeight: 394.33766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C4C(=O)NC(=O)NC4=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C=C4C(=O)NC(=O)NC4=O)CCC(=O)O

InChI

InChI=1S/C19H14N4O6/c24-15(25)5-6-23-9-11(7-12-17(26)20-19(28)21-18(12)27)16(22-23)14-8-10-3-1-2-4-13(10)29-14/h1-4,7-9H,5-6H2,(H,24,25)(H2,20,21,26,27,28)