3-[(3-hydroxyphenyl)methylamino]-4-[(3-methyl-4-oxidanyl-phenyl)amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[(3-hydroxyphenyl)methylamino]-4-[(3-methyl-4-oxidanyl-phenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(4-hydroxy-3-methyl-anilino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(4-hydroxy-3-methylanilino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-hydroxy-3-methylanilino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[(3-hydroxybenzyl)amino]-4-(4-hydroxy-3-methyl-anilino)cyclobut-3-ene-1,2-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=O)C2=O)NCC3=CC(=CC=C3)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=O)C2=O)NCC3=CC(=CC=C3)O)O

InChI

InChI=1S/C18H16N2O4/c1-10-7-12(5-6-14(10)22)20-16-15(17(23)18(16)24)19-9-11-3-2-4-13(21)8-11/h2-8,19-22H,9H2,1H3