diethyl 2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[1-(3-cyclopentyloxy-4-methoxy-phenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-nitro-ethyl]malonic acid diethyl ester Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC2CCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)OC2CCCC2)C(=O)OCC

InChI

InChI=1S/C21H29NO8/c1-4-28-20(23)19(21(24)29-5-2)16(13-22(25)26)14-10-11-17(27-3)18(12-14)30-15-8-6-7-9-15/h10-12,15-16,19H,4-9,13H2,1-3H3