N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C19H16F3N3O6 MolecularWeight: 439.34205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OCC(F)(F)F)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OCC(F)(F)F)C#N)OC

InChI

InChI=1S/C19H16F3N3O6/c1-3-30-17-8-14(25(27)28)13(7-16(17)29-2)18(26)24-12-4-5-15(11(6-12)9-23)31-10-19(20,21)22/h4-8H,3,10H2,1-2H3,(H,24,26)