ethyl 2,2,4-trimethyl-3-morpholin-4-yl-pentanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2,2,4-trimethyl-3-morpholin-4-yl-pentanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2,2,4-trimethyl-3-morpholino-pentanoate; picric acid CAS Name: 2,2,4-trimethyl-3-(4-morpholinyl)pentanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2,2,4-trimethyl-3-morpholin-4-ylpentanoate; 2,4,6-trinitrophenol Traditional Name: picric acid; 2,2,4-trimethyl-3-morpholino-valeric acid ethyl ester Formula: C20H30N4O10 MolecularWeight: 486.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C(C)C)N1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)(C)C(C(C)C)N1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H27NO3.C6H3N3O7/c1-6-18-13(16)14(4,5)12(11(2)3)15-7-9-17-10-8-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-12H,6-10H2,1-5H3;1-2,10H