3-nitro-4-(2-quinolin-8-ylethylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(2-quinolin-8-ylethylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-[2-(8-quinolyl)ethylamino]benzonitrile CAS Name: 3-nitro-4-[2-(8-quinolinyl)ethylamino]benzonitrile IUPAC Name: 3-nitro-4-(2-quinolin-8-ylethylamino)benzonitrile Traditional Name: 3-nitro-4-[2-(8-quinolyl)ethylamino]benzonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H14N4O2/c19-12-13-6-7-16(17(11-13)22(23)24)20-10-8-15-4-1-3-14-5-2-9-21-18(14)15/h1-7,9,11,20H,8,10H2