(4-chloranyl-3-nitro-phenyl) 4-hexylbenzoate

Systemtic Name: (4-chloranyl-3-nitro-phenyl) 4-hexylbenzoate Openeye Name: (4-chloro-3-nitro-phenyl) 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid (4-chloro-3-nitrophenyl) ester IUPAC Name: (4-chloro-3-nitrophenyl) 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid (4-chloro-3-nitro-phenyl) ester Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClNO4/c1-2-3-4-5-6-14-7-9-15(10-8-14)19(22)25-16-11-12-17(20)18(13-16)21(23)24/h7-13H,2-6H2,1H3