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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-nitro-benzamide Formula: C21H14N6O3 MolecularWeight: 398.37426

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14N6O3/c1-13-10-19(24-18-5-3-2-4-17(13)18)26-20(15(11-22)12-23-26)25-21(28)14-6-8-16(9-7-14)27(29)30/h2-10,12H,1H3,(H,25,28)