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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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