2-[[azanyl-[(4-ethoxycarbonylphenyl)amino]methylidene]amino]-6-(trifluoromethyl)pyrimidin-4-olate

Systemtic Name: 2-[[azanyl-[(4-ethoxycarbonylphenyl)amino]methylidene]amino]-6-(trifluoromethyl)pyrimidin-4-olate Openeye Name: 2-[[amino-(4-ethoxycarbonylanilino)methylene]amino]-6-(trifluoromethyl)pyrimidin-4-olate CAS Name: 2-[[amino-(4-ethoxycarbonylanilino)methylidene]amino]-6-(trifluoromethyl)-4-pyrimidinolate IUPAC Name: 2-[[amino-(4-ethoxycarbonylanilino)methylidene]amino]-6-(trifluoromethyl)pyrimidin-4-olate Traditional Name: 2-[[amino-(4-carbethoxyanilino)methylene]amino]-6-(trifluoromethyl)pyrimidin-4-olate Formula: C15H13F3N5O3- MolecularWeight: 368.29063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=NC(=CC(=N2)[O-])C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=NC(=CC(=N2)[O-])C(F)(F)F)N

InChI

InChI=1S/C15H14F3N5O3/c1-2-26-12(25)8-3-5-9(6-4-8)20-13(19)23-14-21-10(15(16,17)18)7-11(24)22-14/h3-7H,2H2,1H3,(H4,19,20,21,22,23,24)/p-1