4-chloranyl-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C22H15ClN6O3 MolecularWeight: 446.8459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN6O3/c1-12-4-3-5-16-13(2)8-19(26-20(12)16)28-21(15(10-24)11-25-28)27-22(30)14-6-7-17(23)18(9-14)29(31)32/h3-9,11H,1-2H3,(H,27,30)