2-(2-chloranyl-4-nitro-phenoxy)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(2-chloro-4-nitro-phenoxy)acetamide CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(2-chloro-4-nitrophenoxy)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(2-chloro-4-nitro-phenoxy)acetamide Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H19ClN4O4/c1-14-15(2)26(12-16-6-4-3-5-7-16)22(18(14)11-24)25-21(28)13-31-20-9-8-17(27(29)30)10-19(20)23/h3-10H,12-13H2,1-2H3,(H,25,28)