3-[4,8-dimethyl-2-oxidanylidene-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-3-yl]propanoic acid

Systemtic Name: 3-[4,8-dimethyl-2-oxidanylidene-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-3-yl]propanoic acid Openeye Name: 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoic acid CAS Name: 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoic acid Traditional Name: 3-[2-keto-4,8-dimethyl-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propionic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CCC(=O)O

InChI

InChI=1S/C16H16N4O5/c1-8-10-3-5-12(24-7-13-17-19-20-18-13)9(2)15(10)25-16(23)11(8)4-6-14(21)22/h3,5H,4,6-7H2,1-2H3,(H,21,22)(H,17,18,19,20)