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methyl 4-[2-(5-chloranyl-2-nitro-phenyl)ethynyl]benzoate

methyl 4-[2-(5-chloranyl-2-nitro-phenyl)ethynyl]benzoate

Systemtic Name:methyl 4-[2-(5-chloranyl-2-nitro-phenyl)ethynyl]benzoate
Openeye Name:methyl 4-[2-(5-chloro-2-nitro-phenyl)ethynyl]benzoate
CAS Name:4-[2-(5-chloro-2-nitrophenyl)ethynyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[2-(5-chloro-2-nitrophenyl)ethynyl]benzoate
Traditional Name:4-[2-(5-chloro-2-nitro-phenyl)ethynyl]benzoic acid methyl ester
Formula: C16H10ClNO4
MolecularWeight: 315.7079
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]


InChI

InChI=1S/C16H10ClNO4/c1-22-16(19)12-5-2-11(3-6-12)4-7-13-10-14(17)8-9-15(13)18(20)21/h2-3,5-6,8-10H,1H3


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