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

Systemtic Name: 2-methylpropan-2-amine; [1-[4-nitro-2-(6-oxidanylidene-1H-pyridazin-3-yl)phenoxy]-4-oxidanylidene-pentan-2-yl] ethanoate Openeye Name: 2-methylpropan-2-amine; [1-[[4-nitro-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]methyl]-3-oxo-butyl] acetate CAS Name: acetic acid [1-[4-nitro-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] ester; 2-methyl-2-propanamine IUPAC Name: 2-methylpropan-2-amine; [1-[4-nitro-2-(6-oxo-1H-pyridazin-3-yl)phenoxy]-4-oxopentan-2-yl] acetate Traditional Name: acetic acid [3-keto-1-[[2-(6-keto-1H-pyridazin-3-yl)-4-nitro-phenoxy]methyl]butyl] ester; tert-butylamine Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNC(=O)C=C2)OC(=O)C.CC(C)(C)N

Isomeric SMILES

CC(=O)CC(COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNC(=O)C=C2)OC(=O)C.CC(C)(C)N

InChI

InChI=1S/C17H17N3O7.C4H11N/c1-10(21)7-13(27-11(2)22)9-26-16-5-3-12(20(24)25)8-14(16)15-4-6-17(23)19-18-15;1-4(2,3)5/h3-6,8,13H,7,9H2,1-2H3,(H,19,23);5H2,1-3H3