3-nitro-2,4,6-tris(oxidanyl)-N-[2-(4-phenoxyphenoxy)ethyl]benzamide

Systemtic Name: 3-nitro-2,4,6-tris(oxidanyl)-N-[2-(4-phenoxyphenoxy)ethyl]benzamide Openeye Name: 2,4,6-trihydroxy-3-nitro-N-[2-(4-phenoxyphenoxy)ethyl]benzamide CAS Name: 2,4,6-trihydroxy-3-nitro-N-[2-(4-phenoxyphenoxy)ethyl]benzamide IUPAC Name: 2,4,6-trihydroxy-3-nitro-N-[2-(4-phenoxyphenoxy)ethyl]benzamide Traditional Name: 2,4,6-trihydroxy-3-nitro-N-[2-(4-phenoxyphenoxy)ethyl]benzamide Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCNC(=O)C3=C(C(=C(C=C3O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCNC(=O)C3=C(C(=C(C=C3O)O)[N+](=O)[O-])O

InChI

InChI=1S/C21H18N2O8/c24-16-12-17(25)19(23(28)29)20(26)18(16)21(27)22-10-11-30-13-6-8-15(9-7-13)31-14-4-2-1-3-5-14/h1-9,12,24-26H,10-11H2,(H,22,27)