ethene; methyl 5-methyl-2-nitro-3-(2-oxidanylidenebutyl)benzoate

Systemtic Name: ethene; methyl 5-methyl-2-nitro-3-(2-oxidanylidenebutyl)benzoate Openeye Name: ethylene; methyl 5-methyl-2-nitro-3-(2-oxobutyl)benzoate CAS Name: ethene; 5-methyl-2-nitro-3-(2-oxobutyl)benzoic acid methyl ester IUPAC Name: ethene; methyl 5-methyl-2-nitro-3-(2-oxobutyl)benzoate Traditional Name: ethylene; 3-(2-ketobutyl)-5-methyl-2-nitro-benzoic acid methyl ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=C(C(=CC(=C1)C)C(=O)OC)[N+](=O)[O-].C=C

Isomeric SMILES

CCC(=O)CC1=C(C(=CC(=C1)C)C(=O)OC)[N+](=O)[O-].C=C

InChI

InChI=1S/C13H15NO5.C2H4/c1-4-10(15)7-9-5-8(2)6-11(13(16)19-3)12(9)14(17)18;1-2/h5-6H,4,7H2,1-3H3;1-2H2