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

Systemtic Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-nitroanilino)acetamide CAS Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)-2-(3-nitroanilino)acetamide IUPAC Name: N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(3-nitroanilino)acetamide Traditional Name: N-(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-nitroanilino)acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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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-])C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CNC2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3)C

InChI

InChI=1S/C21H25N5O3/c1-14-15(2)25(17-8-4-3-5-9-17)21(19(14)12-22)24-20(27)13-23-16-7-6-10-18(11-16)26(28)29/h6-7,10-11,17,23H,3-5,8-9,13H2,1-2H3,(H,24,27)