(4-nitrophenyl) 5-methyl-3-phenyl-hexanoate

Systemtic Name: (4-nitrophenyl) 5-methyl-3-phenyl-hexanoate Openeye Name: (4-nitrophenyl) 5-methyl-3-phenyl-hexanoate CAS Name: 5-methyl-3-phenylhexanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-methyl-3-phenylhexanoate Traditional Name: 5-methyl-3-phenyl-hexanoic acid (4-nitrophenyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H21NO4/c1-14(2)12-16(15-6-4-3-5-7-15)13-19(21)24-18-10-8-17(9-11-18)20(22)23/h3-11,14,16H,12-13H2,1-2H3