N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-methyl-3,5-dinitro-benzamide Formula: C22H15N7O5 MolecularWeight: 457.3984

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

InChI

InChI=1S/C22H15N7O5/c1-12-7-20(25-17-6-4-3-5-16(12)17)27-21(15(10-23)11-24-27)26-22(30)14-8-18(28(31)32)13(2)19(9-14)29(33)34/h3-9,11H,1-2H3,(H,26,30)