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

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(E)-(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C19H16N3O5- MolecularWeight: 366.34744

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-10-8-13(9-15-16(23)20-19(27)21(3)17(15)24)11(2)22(10)14-6-4-12(5-7-14)18(25)26/h4-9H,1-3H3,(H,25,26)(H,20,23,27)/p-1/b15-9+