4-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C21H13ClN6O3 MolecularWeight: 432.81932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN6O3/c1-12-8-19(25-17-5-3-2-4-15(12)17)27-20(14(10-23)11-24-27)26-21(29)13-6-7-16(22)18(9-13)28(30)31/h2-9,11H,1H3,(H,26,29)