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

Systemtic Name: dimethyl 2-[(1S)-1-(3-methoxy-4-methyl-phenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C15H19NO7/c1-9-5-6-10(7-12(9)21-2)11(8-16(19)20)13(14(17)22-3)15(18)23-4/h5-7,11,13H,8H2,1-4H3/t11-/m1/s1