3-methoxy-4-[[5-(trifluoromethyl)pyrazin-2-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-methoxy-4-[[5-(trifluoromethyl)pyrazin-2-yl]carbamoylamino]benzoic acid Openeye Name: 3-methoxy-4-[[5-(trifluoromethyl)pyrazin-2-yl]carbamoylamino]benzoic acid CAS Name: 3-methoxy-4-[[oxo-[[5-(trifluoromethyl)-2-pyrazinyl]amino]methyl]amino]benzoic acid IUPAC Name: 3-methoxy-4-[[5-(trifluoromethyl)pyrazin-2-yl]carbamoylamino]benzoic acid Traditional Name: 3-methoxy-4-[[5-(trifluoromethyl)pyrazin-2-yl]carbamoylamino]benzoic acid Formula: C14H11F3N4O4 MolecularWeight: 356.25675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)NC(=O)NC2=NC=C(N=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)NC(=O)NC2=NC=C(N=C2)C(F)(F)F

InChI

InChI=1S/C14H11F3N4O4/c1-25-9-4-7(12(22)23)2-3-8(9)20-13(24)21-11-6-18-10(5-19-11)14(15,16)17/h2-6H,1H3,(H,22,23)(H2,19,20,21,24)