dipropan-2-yl 2-(2-nitro-1-phenyl-butyl)propanedioate

Systemtic Name: dipropan-2-yl 2-(2-nitro-1-phenyl-butyl)propanedioate Openeye Name: diisopropyl 2-(2-nitro-1-phenyl-butyl)propanedioate CAS Name: 2-(2-nitro-1-phenylbutyl)propanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-(2-nitro-1-phenylbutyl)propanedioate Traditional Name: 2-(2-nitro-1-phenyl-butyl)malonic acid diisopropyl ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO6/c1-6-15(20(23)24)16(14-10-8-7-9-11-14)17(18(21)25-12(2)3)19(22)26-13(4)5/h7-13,15-17H,6H2,1-5H3