N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N(CCC#N)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N(CCC#N)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN4O3/c21-16-6-1-2-7-17(16)24(13-5-10-22)20(26)15-8-9-18(19(14-15)25(27)28)23-11-3-4-12-23/h1-2,6-9,14H,3-5,11-13H2