[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19FN2O7 MolecularWeight: 406.361763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19FN2O7/c1-4-28-17-9-14(15(22(25)26)10-16(17)27-3)19(24)29-11(2)18(23)21-13-7-5-6-12(20)8-13/h5-11H,4H2,1-3H3,(H,21,23)