8-heptoxy-3-(2H-1,2,3,4-tetrazol-5-yl)chromen-2-one

Systemtic Name: 8-heptoxy-3-(2H-1,2,3,4-tetrazol-5-yl)chromen-2-one Openeye Name: 8-heptoxy-3-(2H-tetrazol-5-yl)chromen-2-one CAS Name: 8-heptoxy-3-(2H-tetrazol-5-yl)-1-benzopyran-2-one IUPAC Name: 8-heptoxy-3-(2H-tetrazol-5-yl)chromen-2-one Traditional Name: 8-heptoxy-3-(2H-tetrazol-5-yl)coumarin Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3

Isomeric SMILES

CCCCCCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3

InChI

InChI=1S/C17H20N4O3/c1-2-3-4-5-6-10-23-14-9-7-8-12-11-13(16-18-20-21-19-16)17(22)24-15(12)14/h7-9,11H,2-6,10H2,1H3,(H,18,19,20,21)