(4-oxidanylidene-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate Openeye Name: (4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-oxo-2-phenyl-4a,8a-dihydro-1-benzopyran-3-yl) ester IUPAC Name: (4-oxo-2-phenyl-4a,8a-dihydrochromen-3-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (4-keto-2-phenyl-4a,8a-dihydrochromen-3-yl) ester Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3C=CC=CC3O2)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3C=CC=CC3O2)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H15NO4/c23-18-16-10-4-5-11-17(16)25-19(14-7-2-1-3-8-14)20(18)26-21(24)15-9-6-12-22-13-15/h1-13,16-17H