dimethyl 2-(2-chloranyl-4-nitro-phenyl)-2-(3-oxidanylidenebutyl)propanedioate

Systemtic Name: dimethyl 2-(2-chloranyl-4-nitro-phenyl)-2-(3-oxidanylidenebutyl)propanedioate Openeye Name: dimethyl 2-(2-chloro-4-nitro-phenyl)-2-(3-oxobutyl)propanedioate CAS Name: 2-(2-chloro-4-nitrophenyl)-2-(3-oxobutyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-chloro-4-nitrophenyl)-2-(3-oxobutyl)propanedioate Traditional Name: 2-(2-chloro-4-nitro-phenyl)-2-(3-ketobutyl)malonic acid dimethyl ester Formula: C15H16ClNO7 MolecularWeight: 357.74304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)CCC(C1=C(C=C(C=C1)[N+](=O)[O-])Cl)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C15H16ClNO7/c1-9(18)6-7-15(13(19)23-2,14(20)24-3)11-5-4-10(17(21)22)8-12(11)16/h4-5,8H,6-7H2,1-3H3