2-(4-chloranylpyridazin-3-yl)-2-[8-(3-nitrophenyl)quinolin-6-yl]ethanenitrile

Systemtic Name: 2-(4-chloranylpyridazin-3-yl)-2-[8-(3-nitrophenyl)quinolin-6-yl]ethanenitrile Openeye Name: 2-(4-chloropyridazin-3-yl)-2-[8-(3-nitrophenyl)-6-quinolyl]acetonitrile CAS Name: 2-(4-chloro-3-pyridazinyl)-2-[8-(3-nitrophenyl)-6-quinolinyl]acetonitrile IUPAC Name: 2-(4-chloropyridazin-3-yl)-2-[8-(3-nitrophenyl)quinolin-6-yl]acetonitrile Traditional Name: 2-(4-chloropyridazin-3-yl)-2-[8-(3-nitrophenyl)-6-quinolyl]acetonitrile Formula: C21H12ClN5O2 MolecularWeight: 401.80528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C3C(=CC(=C2)C(C#N)C4=C(C=CN=N4)Cl)C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C3C(=CC(=C2)C(C#N)C4=C(C=CN=N4)Cl)C=CC=N3

InChI

InChI=1S/C21H12ClN5O2/c22-19-6-8-25-26-21(19)18(12-23)15-9-14-4-2-7-24-20(14)17(11-15)13-3-1-5-16(10-13)27(28)29/h1-11,18H