3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[(3-hydroxybenzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NCC3=CC4=NNN=C4C=C3

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NCC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C18H15N5O3/c24-12-3-1-2-10(6-12)8-19-15-16(18(26)17(15)25)20-9-11-4-5-13-14(7-11)22-23-21-13/h1-7,19-20,24H,8-9H2,(H,21,22,23)