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

Systemtic Name: N-[4-cyano-2-(8-methoxy-4-methyl-quinolin-2-yl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolinyl)-3-pyrazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(8-methoxy-4-methylquinolin-2-yl)pyrazol-3-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(8-methoxy-4-methyl-2-quinolyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C23H18N6O4 MolecularWeight: 442.42682

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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=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6O4/c1-13-10-20(26-21-16(13)6-5-9-19(21)33-3)28-22(15(11-24)12-25-28)27-23(30)17-7-4-8-18(14(17)2)29(31)32/h4-10,12H,1-3H3,(H,27,30)