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

Systemtic Name: 3-[[4-(4-chloranylphenoxy)phenyl]methylamino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(3-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(3-pyridinylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-chlorophenoxy)phenyl]methylamino]-4-(pyridin-3-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(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(=CN=C1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

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