[4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl] 3,5-ditert-butylbenzoate

Systemtic Name: [4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]phenyl] 3,5-ditert-butylbenzoate Openeye Name: [4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methyl]phenyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O)C(C)(C)C

InChI

InChI=1S/C26H28N2O5/c1-25(2,3)17-12-16(13-18(14-17)26(4,5)6)23(31)33-19-9-7-15(8-10-19)11-20-21(29)27-24(32)28-22(20)30/h7-14H,1-6H3,(H2,27,28,29,30,32)