2-methylhexan-2-yl 4-nitrobenzoate

Systemtic Name: 2-methylhexan-2-yl 4-nitrobenzoate Openeye Name: 1,1-dimethylpentyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-methylhexan-2-yl ester IUPAC Name: 2-methylhexan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,1-dimethylpentyl ester Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-4-5-10-14(2,3)19-13(16)11-6-8-12(9-7-11)15(17)18/h6-9H,4-5,10H2,1-3H3