dimethyl 2-[(1S)-2-nitro-3-oxidanyl-1,3-diphenyl-prop-2-enyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-2-nitro-3-oxidanyl-1,3-diphenyl-prop-2-enyl]propanedioate Openeye Name: dimethyl 2-[(1S)-3-hydroxy-2-nitro-1,3-diphenyl-allyl]propanedioate CAS Name: 2-[(1S)-3-hydroxy-2-nitro-1,3-diphenylprop-2-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-3-hydroxy-2-nitro-1,3-diphenylprop-2-enyl]propanedioate Traditional Name: 2-[(1S)-3-hydroxy-2-nitro-1,3-diphenyl-allyl]malonic acid dimethyl ester Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)C(=C(C2=CC=CC=C2)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@@H](C1=CC=CC=C1)C(=C(C2=CC=CC=C2)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19NO7/c1-27-19(23)16(20(24)28-2)15(13-9-5-3-6-10-13)17(21(25)26)18(22)14-11-7-4-8-12-14/h3-12,15-16,22H,1-2H3/t15-/m1/s1