[2-[[3-[3-(6-methylpyridazin-3-yl)phenyl]-3-oxidanylidene-propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [2-[[3-[3-(6-methylpyridazin-3-yl)phenyl]-3-oxidanylidene-propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [2-[[3-[3-(6-methylpyridazin-3-yl)phenyl]-3-oxo-propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid CAS Name: [2-[[3-[3-(6-methyl-3-pyridazinyl)phenyl]-1,3-dioxopropyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [2-[[3-[3-(6-methylpyridazin-3-yl)phenyl]-3-oxopropanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [2-[[3-keto-3-[3-(6-methylpyridazin-3-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Formula: C22H17F3N4O4 MolecularWeight: 458.38999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1)C2=CC(=CC=C2)C(=O)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)NC(=O)O

Isomeric SMILES

CC1=NN=C(C=C1)C2=CC(=CC=C2)C(=O)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)NC(=O)O

InChI

InChI=1S/C22H17F3N4O4/c1-12-5-7-16(29-28-12)13-3-2-4-14(9-13)19(30)11-20(31)26-18-10-15(22(23,24)25)6-8-17(18)27-21(32)33/h2-10,27H,11H2,1H3,(H,26,31)(H,32,33)