diethyl 2-chloranyl-2-[[5-(2-chloranyl-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-2,4-dinitro-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-chloranyl-2-[[5-(2-chloranyl-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl)-2,4-dinitro-phenyl]methyl]propanedioate Openeye Name: diethyl 2-chloro-2-[[5-(2-chloro-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-2,4-dinitro-phenyl]methyl]propanedioate CAS Name: 2-chloro-2-[[5-(2-chloro-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-2,4-dinitrophenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-chloro-2-[[5-(2-chloro-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-2,4-dinitrophenyl]methyl]propanedioate Traditional Name: 2-[5-(2-carbethoxy-2-chloro-3-ethoxy-3-keto-propyl)-2,4-dinitro-benzyl]-2-chloro-malonic acid diethyl ester Formula: C22H26Cl2N2O12 MolecularWeight: 581.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(C(=O)OCC)(C(=O)OCC)Cl)(C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(C(=O)OCC)(C(=O)OCC)Cl)(C(=O)OCC)Cl

InChI

InChI=1S/C22H26Cl2N2O12/c1-5-35-17(27)21(23,18(28)36-6-2)11-13-9-14(16(26(33)34)10-15(13)25(31)32)12-22(24,19(29)37-7-3)20(30)38-8-4/h9-10H,5-8,11-12H2,1-4H3