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

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-3-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/c21-11-15-12-22-25(18-9-8-13-4-1-2-7-17(13)23-18)19(15)24-20(27)14-5-3-6-16(10-14)26(28)29/h1-10,12H,(H,24,27)