[1-[4-cyano-2-(6-oxidanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate; 2-methylpropan-2-amine

Systemtic Name: [1-[4-cyano-2-(6-oxidanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate; 2-methylpropan-2-amine Openeye Name: [1-[[4-cyano-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] acetate; 2-methylpropan-2-amine CAS Name: acetic acid [1-[4-cyano-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] ester; 2-methyl-2-propanamine IUPAC Name: [1-[4-cyano-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] acetate; 2-methylpropan-2-amine Traditional Name: acetic acid [1-[[4-cyano-2-(6-keto-1H-pyridazin-3-yl)phenoxy]methyl]-3-keto-butyl] ester; tert-butylamine Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(COC1=C(C=C(C=C1)C#N)C2=NNC(=O)C=C2)OC(=O)C.CC(C)(C)N

Isomeric SMILES

CC(=O)CC(COC1=C(C=C(C=C1)C#N)C2=NNC(=O)C=C2)OC(=O)C.CC(C)(C)N

InChI

InChI=1S/C18H17N3O5.C4H11N/c1-11(22)7-14(26-12(2)23)10-25-17-5-3-13(9-19)8-15(17)16-4-6-18(24)21-20-16;1-4(2,3)5/h3-6,8,14H,7,10H2,1-2H3,(H,21,24);5H2,1-3H3