(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-cyanobenzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C18H11NO5 MolecularWeight: 321.28364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)C#N

InChI

InChI=1S/C18H11NO5/c19-9-11-2-1-3-12(6-11)18(22)23-10-13-7-17(21)24-16-8-14(20)4-5-15(13)16/h1-8,20H,10H2