2-[[(6Z)-6-[3-(2-fluoranyl-4-methyl-phenyl)carbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[(6Z)-6-[3-(2-fluoranyl-4-methyl-phenyl)carbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[(6Z)-6-[3-(2-fluoro-4-methyl-benzoyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[(6Z)-6-[3-[(2-fluoro-4-methylphenyl)-oxomethyl]-6-oxo-1-cyclohexa-2,4-dienylidene]-1H-pyrimidin-2-yl]amino]acetic acid IUPAC Name: 2-[[(6Z)-6-[3-(2-fluoro-4-methylbenzoyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[(6Z)-6-[3-(2-fluoro-4-methyl-benzoyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidin-2-yl]amino]acetic acid Formula: C20H16FN3O4 MolecularWeight: 381.357143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC(=C3C=CN=C(N3)NCC(=O)O)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C/C(=C/3\C=CN=C(N3)NCC(=O)O)/C(=O)C=C2)F

InChI

InChI=1S/C20H16FN3O4/c1-11-2-4-13(15(21)8-11)19(28)12-3-5-17(25)14(9-12)16-6-7-22-20(24-16)23-10-18(26)27/h2-9H,10H2,1H3,(H,26,27)(H2,22,23,24)/b16-14-