[(3R)-4-phenylhexan-3-yl] 4-nitrobenzoate

Systemtic Name: [(3R)-4-phenylhexan-3-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-ethyl-2-phenyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R)-4-phenylhexan-3-yl] ester IUPAC Name: [(3R)-4-phenylhexan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-ethyl-2-phenyl-butyl] ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-3-17(14-8-6-5-7-9-14)18(4-2)24-19(21)15-10-12-16(13-11-15)20(22)23/h5-13,17-18H,3-4H2,1-2H3/t17?,18-/m1/s1