3,4-bis(2H-benzotriazol-4-yl)chromen-2-one

Systemtic Name: 3,4-bis(2H-benzotriazol-4-yl)chromen-2-one Openeye Name: 3,4-bis(2H-benzotriazol-4-yl)chromen-2-one CAS Name: 3,4-bis(2H-benzotriazol-4-yl)-1-benzopyran-2-one IUPAC Name: 3,4-bis(2H-benzotriazol-4-yl)chromen-2-one Traditional Name: 3,4-bis(2H-benzotriazol-4-yl)coumarin Formula: C21H12N6O2 MolecularWeight: 380.35898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=CC=CC4=NNN=C43)C5=CC=CC6=NNN=C65

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)C3=CC=CC4=NNN=C43)C5=CC=CC6=NNN=C65

InChI

InChI=1S/C21H12N6O2/c28-21-18(13-7-4-9-15-20(13)25-27-23-15)17(11-5-1-2-10-16(11)29-21)12-6-3-8-14-19(12)24-26-22-14/h1-10H,(H,22,24,26)(H,23,25,27)