[(2R)-hexan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R)-hexan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-methylpentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-hexan-2-yl] ester IUPAC Name: [(2R)-hexan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-methylpentyl] ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-4-5-10(2)18-13(15)11-6-8-12(9-7-11)14(16)17/h6-10H,3-5H2,1-2H3/t10-/m1/s1