N-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-isochromene-3-carboxamide CAS Name: N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-1-oxoisochromene-3-carboxamide Traditional Name: 1-keto-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]isochromene-3-carboxamide Formula: C18H11F3N2O6 MolecularWeight: 408.28495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)C(=O)NC3=CC(=CC(=C3)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)C(=O)NC3=CC(=CC(=C3)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11F3N2O6/c19-18(20,21)9-28-13-7-11(6-12(8-13)23(26)27)22-16(24)15-5-10-3-1-2-4-14(10)17(25)29-15/h1-8H,9H2,(H,22,24)