4-methyl-3-phenethyl-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one

Systemtic Name: 4-methyl-3-phenethyl-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one Openeye Name: 4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one CAS Name: 4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one Traditional Name: 4-methyl-3-phenethyl-5,7-bis(2H-tetrazol-5-ylmethoxy)coumarin Formula: C22H20N8O4 MolecularWeight: 460.4454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C22H20N8O4/c1-13-16(8-7-14-5-3-2-4-6-14)22(31)34-18-10-15(32-11-19-23-27-28-24-19)9-17(21(13)18)33-12-20-25-29-30-26-20/h2-6,9-10H,7-8,11-12H2,1H3,(H,23,24,27,28)(H,25,26,29,30)