3-[(5S)-5-methyl-3,6-bis(oxidanylidene)-5-propan-2-yl-1,2-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[(5S)-5-methyl-3,6-bis(oxidanylidene)-5-propan-2-yl-1,2-diazinan-1-yl]benzoic acid Openeye Name: 3-[(5S)-5-isopropyl-5-methyl-3,6-dioxo-hexahydropyridazin-1-yl]benzoic acid CAS Name: 3-[(5S)-5-methyl-3,6-dioxo-5-propan-2-yl-1-diazinanyl]benzoic acid IUPAC Name: 3-[(5S)-5-methyl-3,6-dioxo-5-propan-2-yldiazinan-1-yl]benzoic acid Traditional Name: 3-[(5S)-5-isopropyl-3,6-diketo-5-methyl-hexahydropyridazin-1-yl]benzoic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)NN(C1=O)C2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC(C)[C@@]1(CC(=O)NN(C1=O)C2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H18N2O4/c1-9(2)15(3)8-12(18)16-17(14(15)21)11-6-4-5-10(7-11)13(19)20/h4-7,9H,8H2,1-3H3,(H,16,18)(H,19,20)/t15-/m0/s1