5-chloranylpentyl 4-nitrobenzoate

Systemtic Name: 5-chloranylpentyl 4-nitrobenzoate Openeye Name: 5-chloropentyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 5-chloropentyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCCl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCCl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClNO4/c13-8-2-1-3-9-18-12(15)10-4-6-11(7-5-10)14(16)17/h4-7H,1-3,8-9H2