4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoate Formula: C27H19N2O9- MolecularWeight: 515.44776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C27H20N2O9/c1-35-22-11-16(4-8-20(22)36-13-15-2-5-17(6-3-15)26(32)33)10-19-24(30)28-27(34)29(25(19)31)18-7-9-21-23(12-18)38-14-37-21/h2-12H,13-14H2,1H3,(H,32,33)(H,28,30,34)/p-1/b19-10-