ethyl 2-ethyl-2,4-dinitro-3-phenyl-butanoate

Systemtic Name: ethyl 2-ethyl-2,4-dinitro-3-phenyl-butanoate Openeye Name: ethyl 2-ethyl-2,4-dinitro-3-phenyl-butanoate CAS Name: 2-ethyl-2,4-dinitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-ethyl-2,4-dinitro-3-phenylbutanoate Traditional Name: 2-ethyl-2,4-dinitro-3-phenyl-butyric acid ethyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C[N+](=O)[O-])C1=CC=CC=C1)(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C(C[N+](=O)[O-])C1=CC=CC=C1)(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-3-14(16(20)21,13(17)22-4-2)12(10-15(18)19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3