2-nitro-5-(4-phenoxybutylcarbamoyl)phenolate

Systemtic Name: 2-nitro-5-(4-phenoxybutylcarbamoyl)phenolate Openeye Name: 2-nitro-5-(4-phenoxybutylcarbamoyl)phenolate CAS Name: 2-nitro-5-[oxo-(4-phenoxybutylamino)methyl]phenolate IUPAC Name: 2-nitro-5-(4-phenoxybutylcarbamoyl)phenolate Traditional Name: 2-nitro-5-(4-phenoxybutylcarbamoyl)phenolate Formula: C17H17N2O5- MolecularWeight: 329.32728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O5/c20-16-12-13(8-9-15(16)19(22)23)17(21)18-10-4-5-11-24-14-6-2-1-3-7-14/h1-3,6-9,12,20H,4-5,10-11H2,(H,18,21)/p-1