dimethyl 2-[1-(4-methoxyphenyl)ethyl]-2-nitro-pentanedioate

Systemtic Name: dimethyl 2-[1-(4-methoxyphenyl)ethyl]-2-nitro-pentanedioate Openeye Name: dimethyl 2-[1-(4-methoxyphenyl)ethyl]-2-nitro-pentanedioate CAS Name: 2-[1-(4-methoxyphenyl)ethyl]-2-nitropentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methoxyphenyl)ethyl]-2-nitropentanedioate Traditional Name: 2-[1-(4-methoxyphenyl)ethyl]-2-nitro-glutaric acid dimethyl ester Formula: C16H21NO7 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7/c1-11(12-5-7-13(22-2)8-6-12)16(17(20)21,15(19)24-4)10-9-14(18)23-3/h5-8,11H,9-10H2,1-4H3