prop-2-ynyl 4-[3-(3-chloranylphenoxy)-5-nitro-phenoxy]benzoate

Systemtic Name: prop-2-ynyl 4-[3-(3-chloranylphenoxy)-5-nitro-phenoxy]benzoate Openeye Name: prop-2-ynyl 4-[3-(3-chlorophenoxy)-5-nitro-phenoxy]benzoate CAS Name: 4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzoate Traditional Name: 4-[3-(3-chlorophenoxy)-5-nitro-phenoxy]benzoic acid propargyl ester Formula: C22H14ClNO6 MolecularWeight: 423.80266

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCOC(=O)C1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H14ClNO6/c1-2-10-28-22(25)15-6-8-18(9-7-15)29-20-12-17(24(26)27)13-21(14-20)30-19-5-3-4-16(23)11-19/h1,3-9,11-14H,10H2