4-methyl-3-(phenylmethyl)-5,7-bis[2-(2H-1,2,3,4-tetrazol-5-yl)ethoxy]chromen-2-one

Systemtic Name: 4-methyl-3-(phenylmethyl)-5,7-bis[2-(2H-1,2,3,4-tetrazol-5-yl)ethoxy]chromen-2-one Openeye Name: 3-benzyl-4-methyl-5,7-bis[2-(2H-tetrazol-5-yl)ethoxy]chromen-2-one CAS Name: 4-methyl-3-(phenylmethyl)-5,7-bis[2-(2H-tetrazol-5-yl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-5,7-bis[2-(2H-tetrazol-5-yl)ethoxy]chromen-2-one Traditional Name: 3-benzyl-4-methyl-5,7-bis[2-(2H-tetrazol-5-yl)ethoxy]coumarin Formula: C23H22N8O4 MolecularWeight: 474.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCCC3=NNN=N3)OCCC4=NNN=N4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCCC3=NNN=N3)OCCC4=NNN=N4)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N8O4/c1-14-17(11-15-5-3-2-4-6-15)23(32)35-19-13-16(33-9-7-20-24-28-29-25-20)12-18(22(14)19)34-10-8-21-26-30-31-27-21/h2-6,12-13H,7-11H2,1H3,(H,24,25,28,29)(H,26,27,30,31)