N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2-nitrophenoxy)ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2-nitrophenoxy)acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(2-nitrophenoxy)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2-nitrophenoxy)acetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(2-nitrophenoxy)acetamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC2=CC=CC=C2[N+](=O)[O-])C3CCCC3)C

InChI

InChI=1S/C20H22N4O4/c1-13-14(2)23(15-7-3-4-8-15)20(16(13)11-21)22-19(25)12-28-18-10-6-5-9-17(18)24(26)27/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,22,25)