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

Systemtic Name: 4-[3-[(E)-[1-[(2-chlorophenyl)methyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(E)-[1-[(2-chlorophenyl)methyl]-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-[1-[(2-chlorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(E)-[1-[(2-chlorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-[1-(2-chlorobenzyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C25H19ClN3O5- MolecularWeight: 476.88846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O5/c1-14-11-18(15(2)29(14)19-9-7-16(8-10-19)24(32)33)12-20-22(30)27-25(34)28(23(20)31)13-17-5-3-4-6-21(17)26/h3-12H,13H2,1-2H3,(H,32,33)(H,27,30,34)/p-1/b20-12+