methyl 2-fluoranyl-5-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: methyl 2-fluoro-5-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 2-fluoro-5-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 5-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-2-fluoro-benzoic acid methyl ester Formula: C19H14FN3O7 MolecularWeight: 415.328763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)C(=O)OC)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14FN3O7/c1-9(16(24)21-10-6-7-13(20)12(8-10)19(27)30-2)22-17(25)11-4-3-5-14(23(28)29)15(11)18(22)26/h3-9H,1-2H3,(H,21,24)