[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C14H17FN2O5 MolecularWeight: 312.293583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17FN2O5/c1-9(2)3-6-14(19)22-8-13(18)16-10-4-5-11(15)12(7-10)17(20)21/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,18)