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

Systemtic Name: 3-[(3-hydroxyphenyl)methylamino]-4-[(4-oxidanyl-3-pyridin-3-yl-phenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3-hydroxyphenyl)methylamino]-4-[4-hydroxy-3-(3-pyridyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-[(3-hydroxyphenyl)methylamino]-4-[4-hydroxy-3-(3-pyridinyl)anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3-hydroxyphenyl)methylamino]-4-(4-hydroxy-3-pyridin-3-ylanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(3-hydroxybenzyl)amino]-4-[4-hydroxy-3-(3-pyridyl)anilino]cyclobut-3-ene-1,2-quinone Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=CC(=C(C=C3)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NC3=CC(=C(C=C3)O)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O4/c26-16-5-1-3-13(9-16)11-24-19-20(22(29)21(19)28)25-15-6-7-18(27)17(10-15)14-4-2-8-23-12-14/h1-10,12,24-27H,11H2