3-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-chlorophenyl)-4-(homoveratrylamino)cyclobut-3-ene-1,2-quinone Formula: C20H18ClNO4 MolecularWeight: 371.81422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C2=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)C2=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H18ClNO4/c1-25-15-8-3-12(11-16(15)26-2)9-10-22-18-17(19(23)20(18)24)13-4-6-14(21)7-5-13/h3-8,11,22H,9-10H2,1-2H3