3-(4-methoxyphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methoxyphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-methoxyphenyl)-4-(2-pyridylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methoxyphenyl)-4-(2-pyridinylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methoxyphenyl)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(4-methoxyphenyl)-4-(2-pyridylmethylamino)cyclobut-3-ene-1,2-quinone Formula: C17H14N2O3 MolecularWeight: 294.30466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CC=N3

InChI

InChI=1S/C17H14N2O3/c1-22-13-7-5-11(6-8-13)14-15(17(21)16(14)20)19-10-12-4-2-3-9-18-12/h2-9,19H,10H2,1H3