[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-fluorophenoxy)methyl]-2-furancarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C21H17FN2O7 MolecularWeight: 428.367283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7/c1-13-2-8-17(18(10-13)24(27)28)23-20(25)12-30-21(26)19-9-7-16(31-19)11-29-15-5-3-14(22)4-6-15/h2-10H,11-12H2,1H3,(H,23,25)