N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide Formula: C21H13N7O5 MolecularWeight: 443.37182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N7O5/c1-12-17(27(30)31)8-14(9-18(12)28(32)33)21(29)25-20-15(10-22)11-23-26(20)19-7-6-13-4-2-3-5-16(13)24-19/h2-9,11H,1H3,(H,25,29)