4-azanyl-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 4-azanyl-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 4-amino-3-fluoro-2-(2-methylanilino)-5-nitro-benzoic acid CAS Name: 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoic acid IUPAC Name: 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoic acid Traditional Name: 4-amino-3-fluoro-5-nitro-2-(o-toluidino)benzoic acid Formula: C14H12FN3O4 MolecularWeight: 305.261183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN3O4/c1-7-4-2-3-5-9(7)17-13-8(14(19)20)6-10(18(21)22)12(16)11(13)15/h2-6,17H,16H2,1H3,(H,19,20)