N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(3-nitroanilino)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(3-nitroanilino)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3-nitroanilino)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(3-nitroanilino)acetamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N5O3/c1-15-16(2)26(14-17-7-4-3-5-8-17)22(20(15)12-23)25-21(28)13-24-18-9-6-10-19(11-18)27(29)30/h3-11,24H,13-14H2,1-2H3,(H,25,28)