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

Systemtic Name: 3-[5-[(E)-[2,4,6-tris(oxidanylidene)-1-prop-2-enyl-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(1-allyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-(1-allyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=O)NC1=O

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/C(=O)NC1=O

InChI

InChI=1S/C19H14N2O6/c1-2-8-21-17(23)14(16(22)20-19(21)26)10-13-6-7-15(27-13)11-4-3-5-12(9-11)18(24)25/h2-7,9-10H,1,8H2,(H,24,25)(H,20,22,26)/b14-10+