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

Systemtic Name: 3-[(3-hydroxyphenyl)methylamino]-4-[(4-oxidanyl-3-propyl-phenyl)amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[(3-hydroxyphenyl)methylamino]-4-(4-hydroxy-3-propyl-anilino)cyclobut-3-ene-1,2-dione CAS Name: 3-[(3-hydroxyphenyl)methylamino]-4-(4-hydroxy-3-propylanilino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[(3-hydroxyphenyl)methylamino]-4-(4-hydroxy-3-propylanilino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[(3-hydroxybenzyl)amino]-4-(4-hydroxy-3-propyl-anilino)cyclobut-3-ene-1,2-quinone Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)NC2=C(C(=O)C2=O)NCC3=CC(=CC=C3)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)NC2=C(C(=O)C2=O)NCC3=CC(=CC=C3)O)O

InChI

InChI=1S/C20H20N2O4/c1-2-4-13-10-14(7-8-16(13)24)22-18-17(19(25)20(18)26)21-11-12-5-3-6-15(23)9-12/h3,5-10,21-24H,2,4,11H2,1H3