[(1S,2S)-2-methyl-1-phenyl-cyclopentyl] 4-nitrobenzoate

Systemtic Name: [(1S,2S)-2-methyl-1-phenyl-cyclopentyl] 4-nitrobenzoate Openeye Name: [(1S,2S)-2-methyl-1-phenyl-cyclopentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2S)-2-methyl-1-phenylcyclopentyl] ester IUPAC Name: [(1S,2S)-2-methyl-1-phenylcyclopentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2S)-2-methyl-1-phenyl-cyclopentyl] ester Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@]1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19NO4/c1-14-6-5-13-19(14,16-7-3-2-4-8-16)24-18(21)15-9-11-17(12-10-15)20(22)23/h2-4,7-12,14H,5-6,13H2,1H3/t14-,19-/m0/s1