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

Systemtic Name: ethyl 2-methyl-2,4-dinitro-3-phenyl-butanoate Openeye Name: ethyl 2-methyl-2,4-dinitro-3-phenyl-butanoate CAS Name: 2-methyl-2,4-dinitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2,4-dinitro-3-phenylbutanoate Traditional Name: 2-methyl-2,4-dinitro-3-phenyl-butyric acid ethyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-21-12(16)13(2,15(19)20)11(9-14(17)18)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3