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

Systemtic Name: diethyl 2-[(1S)-1-(3-methoxy-4-methyl-phenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-1-(3-methoxy-4-methyl-phenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(3-methoxy-4-methylphenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(3-methoxy-4-methylphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(3-methoxy-4-methyl-phenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C17H23NO7 MolecularWeight: 353.36702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO7/c1-5-24-16(19)15(17(20)25-6-2)13(10-18(21)22)12-8-7-11(3)14(9-12)23-4/h7-9,13,15H,5-6,10H2,1-4H3/t13-/m1/s1