(phenylmethyl) N-[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C19H20FN3O5 MolecularWeight: 389.377603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H20FN3O5/c1-12(2)17(22-19(25)28-11-13-6-4-3-5-7-13)18(24)21-14-8-9-15(20)16(10-14)23(26)27/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,25)/t17-/m0/s1