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

Systemtic Name: 4-methyl-3-(phenylmethyl)-5,7-bis(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-2-one Openeye Name: 3-benzyl-4-methyl-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one CAS Name: 4-methyl-3-(phenylmethyl)-5,7-bis(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-5,7-bis(2H-tetrazol-5-ylmethoxy)chromen-2-one Traditional Name: 3-benzyl-4-methyl-5,7-bis(2H-tetrazol-5-ylmethoxy)coumarin Formula: C21H18N8O4 MolecularWeight: 446.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC3=NNN=N3)OCC4=NNN=N4)CC5=CC=CC=C5

InChI

InChI=1S/C21H18N8O4/c1-12-15(7-13-5-3-2-4-6-13)21(30)33-17-9-14(31-10-18-22-26-27-23-18)8-16(20(12)17)32-11-19-24-28-29-25-19/h2-6,8-9H,7,10-11H2,1H3,(H,22,23,26,27)(H,24,25,28,29)