N-[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-[(4-fluoro-3-nitro-phenyl)carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C20H22FN3O6 MolecularWeight: 419.403583

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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)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O6/c1-11(2)18(20(26)22-13-5-6-16(21)17(9-13)24(27)28)23-19(25)12-7-14(29-3)10-15(8-12)30-4/h5-11,18H,1-4H3,(H,22,26)(H,23,25)/t18-/m0/s1