2-[2-chloranyl-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-chloranyl-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-chloro-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[2-chloro-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-chloro-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetic acid Traditional Name: 2-[2-chloro-4-[(Z)-[1-(4-ethylphenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-6-methoxy-phenoxy]acetic acid Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)C(=O)NC2=O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)/C(=O)NC2=O

InChI

InChI=1S/C22H19ClN2O7/c1-3-12-4-6-14(7-5-12)25-21(29)15(20(28)24-22(25)30)8-13-9-16(23)19(17(10-13)31-2)32-11-18(26)27/h4-10H,3,11H2,1-2H3,(H,26,27)(H,24,28,30)/b15-8-