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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(3-methyl-4-nitro-phenoxy)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(3-methyl-4-nitrophenoxy)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3-methyl-4-nitrophenoxy)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-15-11-19(9-10-21(15)27(29)30)31-14-22(28)25-23-20(12-24)16(2)17(3)26(23)13-18-7-5-4-6-8-18/h4-11H,13-14H2,1-3H3,(H,25,28)