3-[[4-(4-chloranylphenoxy)phenyl]methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(4-chloranylphenoxy)phenyl]methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(4-chlorophenoxy)benzyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C22H16ClN3O3 MolecularWeight: 405.83374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=O)C2=O)NC3=CC=NC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=O)C2=O)NC3=CC=NC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O3/c23-15-3-7-18(8-4-15)29-17-5-1-14(2-6-17)13-25-19-20(22(28)21(19)27)26-16-9-11-24-12-10-16/h1-12,25H,13H2,(H,24,26)