N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-nitro-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-2-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-2-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-2-nitro-benzamide Formula: C20H12N6O3 MolecularWeight: 384.34768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O3/c21-11-14-12-22-25(18-10-9-13-5-1-3-7-16(13)23-18)19(14)24-20(27)15-6-2-4-8-17(15)26(28)29/h1-10,12H,(H,24,27)