4-[(3-ethynylphenyl)amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-ethynylphenyl)amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-ethynylanilino)-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-ethynylanilino)-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-ethynylanilino)-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-ethynylanilino)-6-nitro-quinoline-3-carbonitrile Formula: C18H10N4O2 MolecularWeight: 314.2976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=C3C=C(C=CC3=NC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O2/c1-2-12-4-3-5-14(8-12)21-18-13(10-19)11-20-17-7-6-15(22(23)24)9-16(17)18/h1,3-9,11H,(H,20,21)