4-[(5R)-5-methyl-3,6-bis(oxidanylidene)-5-phenyl-1,2-diazinan-1-yl]benzoic acid

Systemtic Name: 4-[(5R)-5-methyl-3,6-bis(oxidanylidene)-5-phenyl-1,2-diazinan-1-yl]benzoic acid Openeye Name: 4-[(5R)-5-methyl-3,6-dioxo-5-phenyl-hexahydropyridazin-1-yl]benzoic acid CAS Name: 4-[(5R)-5-methyl-3,6-dioxo-5-phenyl-1-diazinanyl]benzoic acid IUPAC Name: 4-[(5R)-5-methyl-3,6-dioxo-5-phenyldiazinan-1-yl]benzoic acid Traditional Name: 4-[(5R)-3,6-diketo-5-methyl-5-phenyl-hexahydropyridazin-1-yl]benzoic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)NN(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C[C@@]1(CC(=O)NN(C1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O4/c1-18(13-5-3-2-4-6-13)11-15(21)19-20(17(18)24)14-9-7-12(8-10-14)16(22)23/h2-10H,11H2,1H3,(H,19,21)(H,22,23)/t18-/m1/s1