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

Systemtic Name: methyl 4-azanyl-3-fluoranyl-2-[(2-methylphenyl)amino]-5-nitro-benzoate Openeye Name: methyl 4-amino-3-fluoro-2-(2-methylanilino)-5-nitro-benzoate CAS Name: 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoate Traditional Name: 4-amino-3-fluoro-5-nitro-2-(o-toluidino)benzoic acid methyl ester Formula: C15H14FN3O4 MolecularWeight: 319.287763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14FN3O4/c1-8-5-3-4-6-10(8)18-14-9(15(20)23-2)7-11(19(21)22)13(17)12(14)16/h3-7,18H,17H2,1-2H3