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

Systemtic Name: 4-[2-[[1-(4-chlorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[[1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[[1-(4-chlorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Formula: C22H14ClN3O5 MolecularWeight: 435.81666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H14ClN3O5/c23-14-5-9-16(10-6-14)26-20(28)18(19(27)24-22(26)31)12-17-2-1-11-25(17)15-7-3-13(4-8-15)21(29)30/h1-12H,(H,29,30)(H,24,27,31)