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

Systemtic Name: ethyl 4-methyl-3-morpholin-4-yl-pentanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 4-methyl-3-morpholino-pentanoate; picric acid CAS Name: 4-methyl-3-(4-morpholinyl)pentanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 4-methyl-3-morpholin-4-ylpentanoate; 2,4,6-trinitrophenol Traditional Name: 4-methyl-3-morpholino-valeric acid ethyl ester; picric acid Formula: C18H26N4O10 MolecularWeight: 458.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO3.C6H3N3O7/c1-4-16-12(14)9-11(10(2)3)13-5-7-15-8-6-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-11H,4-9H2,1-3H3;1-2,10H