pentyl 3-nitrobenzoate

Systemtic Name: pentyl 3-nitrobenzoate Openeye Name: pentyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid pentyl ester IUPAC Name: pentyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid amyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-3-4-8-17-12(14)10-6-5-7-11(9-10)13(15)16/h5-7,9H,2-4,8H2,1H3