ethyl 3-morpholin-4-ylpropanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 3-morpholin-4-ylpropanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 3-morpholinopropanoate; picric acid CAS Name: 3-(4-morpholinyl)propanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 3-morpholin-4-ylpropanoate; 2,4,6-trinitrophenol Traditional Name: 3-morpholinopropionic acid ethyl ester; picric acid Formula: C15H20N4O10 MolecularWeight: 416.3401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H17NO3.C6H3N3O7/c1-2-13-9(11)3-4-10-5-7-12-8-6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H2,1H3;1-2,10H