methyl 3-[[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(1S)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]amino]-4-methylbenzoate Traditional Name: 3-[[(1S)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H18FN3O5 MolecularWeight: 375.351023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N[C@@H](C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O5/c1-10-4-5-12(18(24)27-3)8-15(10)20-11(2)17(23)21-13-6-7-14(19)16(9-13)22(25)26/h4-9,11,20H,1-3H3,(H,21,23)/t11-/m0/s1