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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)NN(C1=O)C2=CC=CC(=C2)C(=O)O)CC

Isomeric SMILES

CCC1(CC(=O)NN(C1=O)C2=CC=CC(=C2)C(=O)O)CC

InChI

InChI=1S/C15H18N2O4/c1-3-15(4-2)9-12(18)16-17(14(15)21)11-7-5-6-10(8-11)13(19)20/h5-8H,3-4,9H2,1-2H3,(H,16,18)(H,19,20)