[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20FN3O7 MolecularWeight: 433.387103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H20FN3O7/c1-12(25)22-17(13-3-6-15(30-2)7-4-13)10-20(27)31-11-19(26)23-14-5-8-16(21)18(9-14)24(28)29/h3-9,17H,10-11H2,1-2H3,(H,22,25)(H,23,26)