hexyl 4-nitrobenzoate

Systemtic Name: hexyl 4-nitrobenzoate Openeye Name: hexyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid hexyl ester IUPAC Name: hexyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid hexyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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