N-[1-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl]-4-piperidyl]-4-fluoro-benzamide CAS Name: N-[1-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl]-4-piperidinyl]-4-fluorobenzamide IUPAC Name: N-[1-[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl]piperidin-4-yl]-4-fluorobenzamide Traditional Name: N-[1-[2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl]-4-piperidyl]-4-fluoro-benzamide Formula: C21H22ClFN4O4 MolecularWeight: 448.875183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN4O4/c1-13(20(28)25-19-7-6-17(27(30)31)12-18(19)22)26-10-8-16(9-11-26)24-21(29)14-2-4-15(23)5-3-14/h2-7,12-13,16H,8-11H2,1H3,(H,24,29)(H,25,28)