N-[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-fluoro-3-(2-oxo-1-pyrrolidinyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-fluoro-3-(2-ketopyrrolidino)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C18H17FN4O4 MolecularWeight: 372.350383

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O4/c1-20-14-7-4-11(9-16(14)23(26)27)18(25)21-12-5-6-13(19)15(10-12)22-8-2-3-17(22)24/h4-7,9-10,20H,2-3,8H2,1H3,(H,21,25)