N-(3-acetamido-4-fluoranyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O4/c1-13-7-9-25(10-8-13)19-6-3-15(11-20(19)26(29)30)21(28)24-16-4-5-17(22)18(12-16)23-14(2)27/h3-6,11-13H,7-10H2,1-2H3,(H,23,27)(H,24,28)