2-azanyl-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-fluoranyl-benzoic acid

Systemtic Name: 2-azanyl-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-fluoranyl-benzoic acid Openeye Name: 2-amino-5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)-4-fluoro-benzoic acid CAS Name: 2-amino-5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-4-fluorobenzoic acid IUPAC Name: 2-amino-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-fluorobenzoic acid Traditional Name: 2-amino-5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)-4-fluoro-benzoic acid Formula: C13H11FN2O4 MolecularWeight: 278.235843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)N)F)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=C(C=C(C(=C2)C(=O)O)N)F)C

InChI

InChI=1S/C13H11FN2O4/c1-5-6(2)12(18)16(11(5)17)10-3-7(13(19)20)9(15)4-8(10)14/h3-4H,15H2,1-2H3,(H,19,20)