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

Systemtic Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(2H-benzotriazol-5-ylmethylamino)-4-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-quinone Formula: C19H17N5O3 MolecularWeight: 363.36998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NCC3=CC4=NNN=C4C=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NCC3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H17N5O3/c1-10(12-3-2-4-13(25)8-12)21-17-16(18(26)19(17)27)20-9-11-5-6-14-15(7-11)23-24-22-14/h2-8,10,20-21,25H,9H2,1H3,(H,22,23,24)/t10-/m0/s1