(4-propylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (4-propylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-propylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-propylphenyl) ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO4/c1-2-3-11-4-7-13(8-5-11)22-16(19)12-6-9-14(17)15(10-12)18(20)21/h4-10H,2-3H2,1H3