methyl 4-(3-cyano-4-oxidanylidene-2,3-dihydrochromen-2-yl)-3-oxidanylidene-hexanoate

Systemtic Name: methyl 4-(3-cyano-4-oxidanylidene-2,3-dihydrochromen-2-yl)-3-oxidanylidene-hexanoate Openeye Name: methyl 4-(3-cyano-4-oxo-chroman-2-yl)-3-oxo-hexanoate CAS Name: 4-(3-cyano-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-3-oxohexanoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-4-oxo-2,3-dihydrochromen-2-yl)-3-oxohexanoate Traditional Name: 4-(3-cyano-4-keto-chroman-2-yl)-3-keto-hexanoic acid methyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(=O)C2=CC=CC=C2O1)C#N)C(=O)CC(=O)OC

Isomeric SMILES

CCC(C1C(C(=O)C2=CC=CC=C2O1)C#N)C(=O)CC(=O)OC

InChI

InChI=1S/C17H17NO5/c1-3-10(13(19)8-15(20)22-2)17-12(9-18)16(21)11-6-4-5-7-14(11)23-17/h4-7,10,12,17H,3,8H2,1-2H3