4-[[(E)-1-[(5S)-1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-1-[(5S)-1-(4-methoxyphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid Openeye Name: 4-[[(E)-1-[(5S)-1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]prop-1-enyl]amino]benzoic acid CAS Name: 4-[[(E)-1-[(5S)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-1-[(5S)-1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid Traditional Name: 4-[[(E)-1-[(5S)-2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-yl]prop-1-enyl]amino]benzoic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C/C=C(\[C@H]1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)/NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O6/c1-3-16(22-13-6-4-12(5-7-13)20(27)28)17-18(25)23-21(29)24(19(17)26)14-8-10-15(30-2)11-9-14/h3-11,17,22H,1-2H3,(H,27,28)(H,23,25,29)/b16-3+/t17-/m0/s1