7-oxidanyl-4-pyridin-4-yl-chromen-2-one hydrate

Systemtic Name: 7-oxidanyl-4-pyridin-4-yl-chromen-2-one hydrate Openeye Name: 7-hydroxy-4-(4-pyridyl)chromen-2-one hydrate CAS Name: 7-hydroxy-4-pyridin-4-yl-1-benzopyran-2-one hydrate IUPAC Name: 7-hydroxy-4-pyridin-4-ylchromen-2-one hydrate Traditional Name: 7-hydroxy-4-(4-pyridyl)coumarin hydrate Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=NC=C3.O

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=NC=C3.O

InChI

InChI=1S/C14H9NO3.H2O/c16-10-1-2-11-12(9-3-5-15-6-4-9)8-14(17)18-13(11)7-10;/h1-8,16H;1H2