N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-]

InChI

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