4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(3-fluoranyl-4-methyl-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(3-fluoro-4-methyl-anilino)-3-nitro-benzoic acid CAS Name: 4-(3-fluoro-4-methylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3-fluoro-4-methylanilino)-3-nitrobenzoic acid Traditional Name: 4-(3-fluoro-4-methyl-anilino)-3-nitro-benzoic acid Formula: C14H11FN2O4 MolecularWeight: 290.246543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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