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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CNC3=C(C(=O)C3=O)NC4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CNC3=C(C(=O)C3=O)NC4=CN=CC=C4

InChI

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