(3-nitrophenyl) octanoate

Systemtic Name: (3-nitrophenyl) octanoate Openeye Name: (3-nitrophenyl) octanoate CAS Name: octanoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) octanoate Traditional Name: caprylic acid (3-nitrophenyl) ester Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO4/c1-2-3-4-5-6-10-14(16)19-13-9-7-8-12(11-13)15(17)18/h7-9,11H,2-6,10H2,1H3