ethyl 2-[2-(4-methoxyphenyl)ethynyl]-5-nitro-benzoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)ethynyl]-5-nitro-benzoate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)ethynyl]-5-nitro-benzoate CAS Name: 2-[2-(4-methoxyphenyl)ethynyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)ethynyl]-5-nitrobenzoate Traditional Name: 2-[2-(4-methoxyphenyl)ethynyl]-5-nitro-benzoic acid ethyl ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H15NO5/c1-3-24-18(20)17-12-15(19(21)22)9-8-14(17)7-4-13-5-10-16(23-2)11-6-13/h5-6,8-12H,3H2,1-2H3