4-[(Z)-[1-[4-[(2S)-butan-2-yl]phenyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoate

Systemtic Name: 4-[(Z)-[1-[4-[(2S)-butan-2-yl]phenyl]-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoate Openeye Name: 4-[(Z)-[1-[4-[(1S)-1-methylpropyl]phenyl]-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[1-[4-[(2S)-butan-2-yl]phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[1-[4-[(2S)-butan-2-yl]phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[2,4,6-triketo-1-[4-[(1S)-1-methylpropyl]phenyl]hexahydropyrimidin-5-ylidene]methyl]benzoate Formula: C22H19N2O5- MolecularWeight: 391.39666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)NC2=O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)[O-])/C(=O)NC2=O

InChI

InChI=1S/C22H20N2O5/c1-3-13(2)15-8-10-17(11-9-15)24-20(26)18(19(25)23-22(24)29)12-14-4-6-16(7-5-14)21(27)28/h4-13H,3H2,1-2H3,(H,27,28)(H,23,25,29)/p-1/b18-12-/t13-/m0/s1