[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-3-carboxylate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-3-carboxylate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C23H17NO5/c1-14-8-15(2)10-18(9-14)28-21-13-27-20-11-17(5-6-19(20)22(21)25)29-23(26)16-4-3-7-24-12-16/h3-13H,1-2H3