ethyl 3-(2-chlorophenyl)-2,4-dinitro-butanoate

Systemtic Name: ethyl 3-(2-chlorophenyl)-2,4-dinitro-butanoate Openeye Name: ethyl 3-(2-chlorophenyl)-2,4-dinitro-butanoate CAS Name: 3-(2-chlorophenyl)-2,4-dinitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(2-chlorophenyl)-2,4-dinitrobutanoate Traditional Name: 3-(2-chlorophenyl)-2,4-dinitro-butyric acid ethyl ester Formula: C12H13ClN2O6 MolecularWeight: 316.69442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O6/c1-2-21-12(16)11(15(19)20)9(7-14(17)18)8-5-3-4-6-10(8)13/h3-6,9,11H,2,7H2,1H3