[4-[2-(4-nitrophenyl)ethynyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(4-nitrophenyl)ethynyl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-nitrophenyl)ethynyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(4-nitrophenyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(4-nitrophenyl)ethynyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(4-nitrophenyl)ethynyl]phenyl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(=O)OC1=CC=C(C=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO4/c1-3-14(2)19(21)24-18-12-8-16(9-13-18)5-4-15-6-10-17(11-7-15)20(22)23/h6-14H,3H2,1-2H3