[2,6-di(propan-2-yl)phenyl] 2-nitrobutanoate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 2-nitrobutanoate Openeye Name: (2,6-diisopropylphenyl) 2-nitrobutanoate CAS Name: 2-nitrobutanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 2-nitrobutanoate Traditional Name: 2-nitrobutyric acid (2,6-diisopropylphenyl) ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=CC=C1C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC1=C(C=CC=C1C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-6-14(17(19)20)16(18)21-15-12(10(2)3)8-7-9-13(15)11(4)5/h7-11,14H,6H2,1-5H3