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

Systemtic Name: 3-[[(E)-1-[(5S)-1-(2-methylphenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid Openeye Name: 3-[[(E)-1-[(5S)-1-(o-tolyl)-2,4,6-trioxo-hexahydropyrimidin-5-yl]prop-1-enyl]amino]benzoic acid CAS Name: 3-[[(E)-1-[(5S)-1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-1-[(5S)-1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enyl]amino]benzoic acid Traditional Name: 3-[[(E)-1-[(5S)-2,4,6-triketo-1-(o-tolyl)hexahydropyrimidin-5-yl]prop-1-enyl]amino]benzoic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C/C=C(\[C@H]1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C)/NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H19N3O5/c1-3-15(22-14-9-6-8-13(11-14)20(27)28)17-18(25)23-21(29)24(19(17)26)16-10-5-4-7-12(16)2/h3-11,17,22H,1-2H3,(H,27,28)(H,23,25,29)/b15-3+/t17-/m0/s1