5-chloranylpentyl 3-nitrobenzoate

Systemtic Name: 5-chloranylpentyl 3-nitrobenzoate Openeye Name: 5-chloropentyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 5-chloropentyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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