2-[4-[(E)-3-[3-[[bis(azanyl)methylideneamino]methyl]phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[3-[[bis(azanyl)methylideneamino]methyl]phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[4-[(E)-3-[3-(guanidinomethyl)phenyl]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[4-[(E)-3-[3-[(diaminomethylideneamino)methyl]phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[4-[(E)-3-[3-[(diaminomethylideneamino)methyl]phenyl]-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[4-[(E)-3-[3-(guanidinomethyl)phenyl]-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetic acid; 2,2,2-trifluoroacetic acid Formula: C22H22F3N3O7 MolecularWeight: 497.42119

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)CN=C(N)N)OCC(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)CN=C(N)N)OCC(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H21N3O5.C2HF3O2/c1-27-18-10-13(6-8-17(18)28-12-19(25)26)5-7-16(24)15-4-2-3-14(9-15)11-23-20(21)22;3-2(4,5)1(6)7/h2-10H,11-12H2,1H3,(H,25,26)(H4,21,22,23);(H,6,7)/b7-5+;