ethyl 3-(7-chloranyl-1,3-benzodioxol-5-yl)-2,4-dinitro-butanoate

Systemtic Name: ethyl 3-(7-chloranyl-1,3-benzodioxol-5-yl)-2,4-dinitro-butanoate Openeye Name: ethyl 3-(7-chloro-1,3-benzodioxol-5-yl)-2,4-dinitro-butanoate CAS Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-2,4-dinitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(7-chloro-1,3-benzodioxol-5-yl)-2,4-dinitrobutanoate Traditional Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-2,4-dinitro-butyric acid ethyl ester Formula: C13H13ClN2O8 MolecularWeight: 360.70392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C(=C1)Cl)OCO2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C(=C1)Cl)OCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN2O8/c1-2-22-13(17)11(16(20)21)8(5-15(18)19)7-3-9(14)12-10(4-7)23-6-24-12/h3-4,8,11H,2,5-6H2,1H3