5-[(3-fluoranyl-4-methyl-phenyl)amino]-2-nitro-benzoate

Systemtic Name: 5-[(3-fluoranyl-4-methyl-phenyl)amino]-2-nitro-benzoate Openeye Name: 5-(3-fluoro-4-methyl-anilino)-2-nitro-benzoate CAS Name: 5-(3-fluoro-4-methylanilino)-2-nitrobenzoate IUPAC Name: 5-(3-fluoro-4-methylanilino)-2-nitrobenzoate Traditional Name: 5-(3-fluoro-4-methyl-anilino)-2-nitro-benzoate Formula: C14H10FN2O4- MolecularWeight: 289.238603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])F

InChI

InChI=1S/C14H11FN2O4/c1-8-2-3-10(7-12(8)15)16-9-4-5-13(17(20)21)11(6-9)14(18)19/h2-7,16H,1H3,(H,18,19)/p-1