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

Systemtic Name: [2-nitro-5-(oxan-2-yloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid Openeye Name: [2-nitro-4-(2-phenylethynyl)-5-(tetrahydropyran-2-yloxymethyl)phenyl]carbamic acid CAS Name: [2-nitro-5-(2-oxanyloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid IUPAC Name: [2-nitro-5-(oxan-2-yloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid Traditional Name: [2-nitro-4-(2-phenylethynyl)-5-(tetrahydropyran-2-yloxymethyl)phenyl]carbamic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C21H20N2O6/c24-21(25)22-18-12-17(14-29-20-8-4-5-11-28-20)16(13-19(18)23(26)27)10-9-15-6-2-1-3-7-15/h1-3,6-7,12-13,20,22H,4-5,8,11,14H2,(H,24,25)