(Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-[2,4,5-tris(fluoranyl)phenyl]carbonyl-prop-2-enoic acid

Systemtic Name: (Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-[2,4,5-tris(fluoranyl)phenyl]carbonyl-prop-2-enoic acid Openeye Name: (Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-(2,4,5-trifluorobenzoyl)prop-2-enoic acid CAS Name: (Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-[oxo-(2,4,5-trifluorophenyl)methyl]-2-propenoic acid IUPAC Name: (Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-(2,4,5-trifluorobenzoyl)prop-2-enoic acid Traditional Name: (Z)-3-[(2-methyl-1,2,4-triazol-3-yl)amino]-2-(2,4,5-trifluorobenzoyl)acrylic acid Formula: C13H9F3N4O3 MolecularWeight: 326.23077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)NC=C(C(=O)C2=CC(=C(C=C2F)F)F)C(=O)O

Isomeric SMILES

CN1C(=NC=N1)N/C=C(/C(=O)C2=CC(=C(C=C2F)F)F)\C(=O)O

InChI

InChI=1S/C13H9F3N4O3/c1-20-13(18-5-19-20)17-4-7(12(22)23)11(21)6-2-9(15)10(16)3-8(6)14/h2-5H,1H3,(H,22,23)(H,17,18,19)/b7-4-