2-chloranyl-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-4-nitro-benzamide Formula: C22H15ClN6O4 MolecularWeight: 462.8453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN6O4/c1-12-8-19(26-20-15(12)4-3-5-18(20)33-2)28-21(13(10-24)11-25-28)27-22(30)16-7-6-14(29(31)32)9-17(16)23/h3-9,11H,1-2H3,(H,27,30)