[2-nitro-5-[2-(oxan-2-yloxy)ethoxy]-4-(2-phenylethynyl)phenyl]carbamic acid

Systemtic Name: [2-nitro-5-[2-(oxan-2-yloxy)ethoxy]-4-(2-phenylethynyl)phenyl]carbamic acid Openeye Name: [2-nitro-4-(2-phenylethynyl)-5-(2-tetrahydropyran-2-yloxyethoxy)phenyl]carbamic acid CAS Name: [2-nitro-5-[2-(2-oxanyloxy)ethoxy]-4-(2-phenylethynyl)phenyl]carbamic acid IUPAC Name: [2-nitro-5-[2-(oxan-2-yloxy)ethoxy]-4-(2-phenylethynyl)phenyl]carbamic acid Traditional Name: [2-nitro-4-(2-phenylethynyl)-5-(2-tetrahydropyran-2-yloxyethoxy)phenyl]carbamic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCOC2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

C1CCOC(C1)OCCOC2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C22H22N2O7/c25-22(26)23-18-15-20(29-12-13-31-21-8-4-5-11-30-21)17(14-19(18)24(27)28)10-9-16-6-2-1-3-7-16/h1-3,6-7,14-15,21,23H,4-5,8,11-13H2,(H,25,26)