2-[4-[(E)-3-[3-(2-azanylethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[3-(2-azanylethoxy)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-[(E)-3-[3-(2-aminoethoxy)phenyl]-3-oxo-prop-1-enyl]-2-nitro-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-[(E)-3-[3-(2-aminoethoxy)phenyl]-3-oxoprop-1-enyl]-2-nitrophenoxy]acetic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-[(E)-3-[3-(2-aminoethoxy)phenyl]-3-oxoprop-1-enyl]-2-nitrophenoxy]acetic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-[(E)-3-[3-(2-aminoethoxy)phenyl]-3-keto-prop-1-enyl]-2-nitro-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid Formula: C21H19F3N2O9 MolecularWeight: 500.37877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCN)C(=O)C=CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCN)C(=O)/C=C/C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H18N2O7.C2HF3O2/c20-8-9-27-15-3-1-2-14(11-15)17(22)6-4-13-5-7-18(28-12-19(23)24)16(10-13)21(25)26;3-2(4,5)1(6)7/h1-7,10-11H,8-9,12,20H2,(H,23,24);(H,6,7)/b6-4+;