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

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C23H18N6O5 MolecularWeight: 458.42622

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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-])OC)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H18N6O5/c1-13-8-21(26-17-7-5-4-6-15(13)17)28-22(14(11-24)12-25-28)27-23(30)16-9-19(33-2)20(34-3)10-18(16)29(31)32/h4-10,12H,1-3H3,(H,27,30)