dimethyl 2-[5-(1-ethoxy-2-methyl-1-oxidanylidene-butan-2-yl)-2-nitro-phenyl]propanedioate

Systemtic Name: dimethyl 2-[5-(1-ethoxy-2-methyl-1-oxidanylidene-butan-2-yl)-2-nitro-phenyl]propanedioate Openeye Name: dimethyl 2-[5-(1-ethoxycarbonyl-1-methyl-propyl)-2-nitro-phenyl]propanedioate CAS Name: 2-[5-(1-ethoxy-2-methyl-1-oxobutan-2-yl)-2-nitrophenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(1-ethoxy-2-methyl-1-oxobutan-2-yl)-2-nitrophenyl]propanedioate Traditional Name: 2-[5-(1-carbethoxy-1-methyl-propyl)-2-nitro-phenyl]malonic acid dimethyl ester Formula: C18H23NO8 MolecularWeight: 381.37712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO8/c1-6-18(3,17(22)27-7-2)11-8-9-13(19(23)24)12(10-11)14(15(20)25-4)16(21)26-5/h8-10,14H,6-7H2,1-5H3