(E)-3-[1-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-3-[1-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide Openeye Name: (E)-3-[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cycloheptyl-prop-2-enamide CAS Name: (E)-3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-cycloheptyl-2-propenamide IUPAC Name: (E)-3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-cycloheptylprop-2-enamide Traditional Name: (E)-3-[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-cycloheptyl-acrylamide Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)C=C(C#N)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NC3CCCCCC3

InChI

InChI=1S/C23H25ClN4O3/c1-15-11-17(12-18(14-25)23(29)26-19-7-5-3-4-6-8-19)16(2)27(15)20-9-10-21(24)22(13-20)28(30)31/h9-13,19H,3-8H2,1-2H3,(H,26,29)/b18-12+