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

Systemtic Name: ethyl 3-[4,8-dimethyl-2-oxidanylidene-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate Openeye Name: ethyl 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate CAS Name: 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propanoate Traditional Name: 3-[2-keto-4,8-dimethyl-7-(2H-tetrazol-5-ylmethoxy)chromen-3-yl]propionic acid ethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=NNN=N3)C)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=NNN=N3)C)OC1=O)C

InChI

InChI=1S/C18H20N4O5/c1-4-25-16(23)8-6-13-10(2)12-5-7-14(11(3)17(12)27-18(13)24)26-9-15-19-21-22-20-15/h5,7H,4,6,8-9H2,1-3H3,(H,19,20,21,22)