(4-propoxyphenyl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (4-propoxyphenyl) 2-chloranyl-4-nitro-benzoate Openeye Name: (4-propoxyphenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (4-propoxyphenyl) ester Formula: C16H14ClNO5 MolecularWeight: 335.73906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClNO5/c1-2-9-22-12-4-6-13(7-5-12)23-16(19)14-8-3-11(18(20)21)10-15(14)17/h3-8,10H,2,9H2,1H3