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

Systemtic Name: methyl 3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-4-oxidanyl-benzoate Openeye Name: methyl 3-fluoro-4-hydroxy-2-(2-methylanilino)-5-nitro-benzoate CAS Name: 3-fluoro-4-hydroxy-2-(2-methylanilino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-hydroxy-2-(2-methylanilino)-5-nitrobenzoate Traditional Name: 3-fluoro-4-hydroxy-5-nitro-2-(o-toluidino)benzoic acid methyl ester Formula: C15H13FN2O5 MolecularWeight: 320.272523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)OC)[N+](=O)[O-])O)F

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(C=C2C(=O)OC)[N+](=O)[O-])O)F

InChI

InChI=1S/C15H13FN2O5/c1-8-5-3-4-6-10(8)17-13-9(15(20)23-2)7-11(18(21)22)14(19)12(13)16/h3-7,17,19H,1-2H3