nonyl 3-nitrobenzoate

Systemtic Name: nonyl 3-nitrobenzoate Openeye Name: nonyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid nonyl ester IUPAC Name: nonyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid nonyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-8-12-21-16(18)14-10-9-11-15(13-14)17(19)20/h9-11,13H,2-8,12H2,1H3