N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C22H16N6O4 MolecularWeight: 428.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O4/c1-13-9-19(25-20-17(13)7-4-8-18(20)32-2)27-21(15(11-23)12-24-27)26-22(29)14-5-3-6-16(10-14)28(30)31/h3-10,12H,1-2H3,(H,26,29)