4-chloranyl-3,5-dinitro-benzoic acid; methyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: 4-chloranyl-3,5-dinitro-benzoic acid; methyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: 4-chloro-3,5-dinitro-benzoic acid; methyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid; 4-chloro-3,5-dinitrobenzoic acid methyl ester IUPAC Name: 4-chloro-3,5-dinitrobenzoic acid; methyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid; 4-chloro-3,5-dinitro-benzoic acid methyl ester Formula: C15H8Cl2N4O12 MolecularWeight: 507.14962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H5ClN2O6.C7H3ClN2O6/c1-17-8(12)4-2-5(10(13)14)7(9)6(3-4)11(15)16;8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h2-3H,1H3;1-2H,(H,11,12)